C17H17N5O5 Adenosine, N-benzoyl- (7CI, 9CI, ACI) H333, H303, H302
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha Molecular | 371.35 | - |
| Ira Whakarewa (Whakamatau) | 152 °C | - |
| Kiato (I Matapaetia) | 1.70±0.1 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr |
| pKa (I Matapaetia) | 7.87±0.43 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O)C=4C=CC=CC4
NGĀ MAHI Isomerik O[C@H]1[C@H](N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)O[C@H]( CO)[C@H]1O
InChI
InChI=1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21- 16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17, 23-25H,6H2,(H,18,19,21,26 )/t10-,12-,13-,17-/m1/s1
Kī InChI
NZDWTKFDAUOODA-CNEMSGBDSA-N
3 Ētahi atu Ingoa mō tēnei Matū
Benzamide, N-(9-β-D-ribofuranosyl-9H-purin-6-yl)- (8CI);N-Benzoyladenosine (ACI);N6-Benzoyladenosine
| Nga rawa e waatea ana |
| Ngawha |
Ngawha
| Taonga | Uara | Tikanga | Puna |
| Te Whakarewarewa | 152 °C | (1) IC | |
(1) Gopalakrishnan, Vidhya;Nga Mahi - Indian Academy of Sciences, Chemical Sciences, (1989), 101(5), 401-13, CAplus
Kei te waatea te Spectra
1H NMR
13C NMR
Hetero NMR
IR
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 1.0 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.83 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 2.56 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 2.67 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 2.68 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 2.65 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 2.37 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 1.16 | 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 | 12.6 | pH 1;Te Mahana: 25 °C | (1) ACD |
| Koc | 48.2 | pH 2;Te Mahana: 25 °C | (1) ACD |
| Koc | 67.3 | pH 3;Te Mahana: 25 °C | (1) ACD |
| Koc | 70.1 | pH 4;Te Mahana: 25 °C | (1) ACD |
| Koc | 70.3 | pH 5;Te Mahana: 25 °C | (1) ACD |
| Koc | 69.5 | pH 6;Te Mahana: 25 °C | (1) ACD |
| Koc | 62.2 | pH 7;Te Mahana: 25 °C | (1) ACD |
| Koc | 30.5 | pH 8;Te Mahana: 25 °C | (1) ACD |
| Koc | 5.54 | pH 9;Te Mahana: 25 °C | (1) ACD |
| Koc | 1.22 | pH 10;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.12 | pH 1;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.70 | pH 2;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.85 | pH 3;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.86 | pH 4;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.87 | pH 5;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.86 | pH 6;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.81 | pH 7;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | 0.50 | pH 8;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.24 | pH 9;Te Mahana: 25 °C | (1) ACD |
| rangitakiD | -0.89 | pH 10;Te Mahana: 25 °C | (1) ACD |
| rangitakiP | 0.868±0.577 | Te Mahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 0.037 g/L | Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.22 g/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.056 g/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.041 g/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.041 g/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.037 g/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.041 g/L | pH 6;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.045 g/L | pH 7;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.089 g/L | pH 8;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.48 g/L | pH 9;Te Mahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 2.2 g/L | pH 10;Te Mahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Wairewa Papatipu | 0.041 g/L | Te Wai Kore Kore Te pH 5.93;Te Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.0 x 10-4 mol/L | Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 5.8 x 10-4 mol/L | pH 1;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.5 x 10-4 mol/L | pH 2;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 3;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 4;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.0 x 10-4 mol/L | pH 5;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | pH 6;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.2 x 10-4 mol/L | pH 7;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-4 mol/L | pH 8;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-3 mol/L | pH 9;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 6.0 x 10-3 mol/L | pH 10;Te Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-4 mol/L | Te Wai Kore Kore Te pH 5.93;Te Mahana: 25 °C | (1) ACD |
| Taumaha Molecular | 371.35 | ||
| pKa | 7.87±0.43 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | 1.39±0.10 | Te Mahana Matua: 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 | 1.70±0.1 g/cm3 | Te Mahana: 20 °C;Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 217.3±7.0 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 | 6 | (1) ACD | |
| H Nga Kaiwhiwhi | 10 | (1) ACD | |
| H Nga Kaituku | 4 | (1) ACD | |
| H Tapeke Kaituku/Kaiwhiwhi | 14 | (1) ACD | |
| rangitakiP | 0.868±0.577 | Te Mahana: 25 °C | (1) ACD |
| Taumaha Molecular | 371.35 |
(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 | 143 A2 | (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 |
| H333 | Ka kino pea mena ka ngotea | Tohunga Manaaki |
| H303 | Ka kino pea ki te horomia | Tohunga Manaaki |
| H302 | He kino ki te horomia | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
Rarangi Ture: REACH, TCSI
Nga Korero Pakihi Matatapu: Public
| Ture Tauritenga | ||
| Adenosine, N-benzoyl- | REACH, TCSI | - |
| N-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}benzamide | REACH | - |
| N6-Benzoyladenosine | REACH | - |
Nga Taipitopito Ma te Whenua/Ao me etahi atu Rarangi Momo Momo Whenua/Rohe E waatea ana
Whakarāpopototanga o te Kotahitanga o Europi
Te Turanga Rarangi i runga i te rarangi REACH o nga matū kua rehitatia
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Rarangi Whakahaere Nama EC No.: 610-251-3
Taiwhanga Whakarāpopoto
Turanga Rarangi mo TCSI Taiwan Government Ga
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