![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302 Atahanga Whakaatu](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha Molecular | 263.25 | - |
| Ira Whakarewa (Whakamatau) | 177.1-178.3 °C | - |
| Ira Kohua (I Matapaetia) | 666.6±55.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.50±0.1 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr |
| pKa (I Matapaetia) | 11.20±0.20 | Te Mahana Waiwawa Nui: 25 °C |
NGĀ ATA KANAKA O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC
NGĀ MAHI Isomerik C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/ h5,18H,2-4,6H2,1H3/t13-/m0/s1
Kī InChI
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
5 Ētahi atu Ingoa mō tēnei Matū
(4S) -4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano [3,4-f] indolizine-3,6,10 (4H) -trione (ACI);1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4- ethyl-7,8-dihydro-4-hydroxy-, (S)- (ZCI);(4S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)trione;(4S)-4-Ethyl-4-
hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10-trione;(S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10 (4H)-trione
| Nga rawa e waatea ana |
| Optical me te Marara |
| Ngawha |
Optical me te Marara
| Taonga | Uara | Tikanga | Puna |
| Te Mana Hurihuri Optical | +120.6 deg | c: 0.62 g/100mL;Wairewa: Chloroform | (1) IC |
| Te Mana Hurihuri Optical | +120.57 deg | c: 0.62 g/100mL;Wairewa: Chloroform;Te Mahana: 20 °C | (2) IC |
| Te Mana Hurihuri Optical | +119.57 deg | c: 1.0 g/100mL;Wairewa: Chloroform;λ: 589.3 nm;Te Mahana: 25 °C | (3) CAS |
| Te Mana Hurihuri Optical | +119.57 nekehanga·mL/g·dm | c: 1.0 g/100mL;Wairewa: Chloroform;λ: Raina konutai D;Te Mahana: 25 °C | (4) CAS |
| Te Mana Hurihuri Optical | +117.6 deg | c: 0.56 g/100mL;Wairewa: Chloroform;Te Mahana: 23 °C | (5) IC |
| Te Mana Hurihuri Optical | +116.14 nekehanga·mL/g·dm | c: 1.0 g/100mL;Wairewa: Chloroform;λ: Raina konutai D;Te Mahana: 26 °C | (4) CAS |
| Te Mana Hurihuri Optical | +96 deg | c: 0.40 g/100mL;Te Mahana: 21 °C | (6) IC |
| Te Mana Hurihuri Optical | +77.8 deg | c: 0.62 g/100mL;Wairewa: Chloroform;λ: 589.3 nm;Te Mahana: 25 °C | (7) CAS |
(1) Terasawa, Hirofumi;Te Maama & Rongoa Panui, (1989), 37(12), 3382-5, CAplus
(2) Tagawa, Hiroaki;EP220601, A1, 1987, CAplus
(3) Henegar, Kevin E.;Journal of Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(4) Watanabe, Tatsuya;Matū - He Putaka Ahia, (2013), 8(3), 630-638, CAplus
(5) Ejima, Akio;Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(6) Wani, Mansukh C.;Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
(7) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
Ngawha
| Taonga | Uara | Tikanga | Puna | |
| Te Whakarewarewa | 183-185 °C (decomp) | (1) CAS | ||
| Te Whakarewarewa | 177.1-178.3 °C | (2) CAS | ||
| Te Whakarewarewa | 176-177 °C (decomp) | (3) IC | ||
| Te Whakarewarewa | 169-170 °C | Wairewa: | Ethyl acetate | (4) IC |
(1) Kuang, Yun-Yan;Helvetica Chimica Acta, (2010), 93(10), 2094-2099, CAplus
(2) Henegar, Kevin E.;Journal of Organic Chemistry, (1997), 62(19), 6588-6597, CAplus
(3) Ejima, Akio;Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), (1990)(1), 27-31, CAplus
(4) Wani, Mansukh C.;Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
Kei te waatea te Spectra
1H NMR
Mass
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1.0 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 8;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 9;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.0 | pH 10;Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Te matū
| Taonga | Uara | Tikanga | Puna |
| Koc | 7.37 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.37 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Koc | 7.37 | pH 8;Te Mahana: 25 °C | (1) ACD |
| Koc | 7.33 | pH 9;Te Mahana: 25 °C | (1) ACD |
| Koc | 6.94 | pH 10;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 1;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 2;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 3;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 4;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 5;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 6;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 7;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 8;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.94 | pH 9;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.96 | pH 10;Te Mahana: 25 °C | (1) ACD |
| rangitakiP | -0.936±0.842 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 371 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 6;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 7;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 8;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | pH 9;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 392 g/L | pH 10;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 371 g/L | Te Wai Whakakore pH 5.53;Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.41 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.41 mol/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna | |
| Molar Solubility | 1.41 mol/L | pH 6;Te Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 7;Te Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 8;Te Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | pH 9;Te Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.49 mol/L | pH 10;Te Mahana: 25 °C | (1) ACD | |
| Molar Solubility | 1.41 mol/L | Te Wai Whakakore pH 5.53;Te Mahana: 25 °C | (1) ACD | |
| Taumaha Molecular | 263.25 | |||
| pKa | 11.20±0.20 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD | |
| pKa | -2.24±0.40 | Te Mahana Matua: 25 °C | (1) ACD | |
| Pehenga Kohu | 1.29 x 10-20 | Torr | Te Mahana: 25 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kiato
| Taonga | Uara | Tikanga | Puna |
| Kiato | 1.50±0.1 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 174.8±5.0 cm3/mol | Te Mahana: 20 °C;Perehi: 760 Torr | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Taonga | Uara | Tikanga | Puna |
| Nga here e taea te huri noa | 2 | (1) ACD | |
| H Nga Kaiwhiwhi | 6 | (1) ACD | |
| H Nga Kaituku | 1 | (1) ACD | |
| H Tapeke Kaituku/Kaiwhiwhi | 7 | (1) ACD | |
| rangitakiP | -0.936±0.842 | Te Mahana: 25 °C | (1) ACD |
| Taumaha Molecular | 263.25 |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Hanganga e Pa ana
| Taonga | Uara | Tikanga | Puna |
| Rohe Mata Polar | 83.9 A2 | (1) ACD | |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Kohuatanga | 666.6±55.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 112.17±6.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 357.0±31.5 °C | (1) ACD |
(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)
Kei te waatea te Spectra
1H NMR
13C NMR
| Waehere | Tauākī mōrearea | Puna |
| H319 | Ka nui te mamae o te kanohi | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
| H302 | He kino ki te horomia | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
Nga Korero Pakihi Matatapu: Public
| Ture Tauritenga | ||
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno(3,4-f)indolizine-3,6,10(4H)-trione | - | Wīwī |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyranno[3,4-f]indolizine-3,6,10(4H)-trione | - | Wīwī |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Teniana, Tiamana |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano(3,4-f)indolizine-3,6,10(4H)-trion | - | Tatimana |
| (S)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Teniana, Tiamana |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trion | - | Tatimana |
| (S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione | - | - |
| (S)-4-etil-4-hidroxi-7,8-diridro-1H-pirano(3,4-f)indolizina-3,6,10(4H)-triona | - | Potiti, Paniora |
| (S)-4-etil-4-hidroxi-7,8-diridro-1H-pirano[3,4-f]indolizina-3,6,10(4H)-triona | - | Potiti, Paniora |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano(3,4-f)indolizin-3,6,10(4H)-trione | - | Itari |
| (S)-4-etil-4-idrossi-7,8-diidro-1H-pirano[3,4-f]indolizin-3,6,10(4H)-trione | - | Itari |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano(3,4-f)indolizin-3,6,10(4H)-trion | - | Huitene |
| (S)-4-etil-4-hydroxi-7,8-dihydro-1H-pyrano[3,4-f]indolizin-3,6,10(4H)-trion | - | Huitene |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano(3,4-f)indolitsiini-3,6,10(4H)-trioni | - | Finiana |
| (S)-4-etyyli-4-hydroksi-7,8-dihydro-1H-pyrano[3,4-f]indolitsiini-3,6,10(4H)-trioni | - | Finiana |
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