![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301 Atahanga Whakaatu](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Nga Ahuatanga Tinana Matua | Uara | Tikanga |
| Taumaha rāpoi | 365.46 | - |
| Ira Kohua (I Matapaetia) | 504.1±50.0 °C | Perehi: 760 Torr |
| Kiato (I Matapaetia) | 1.091±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr |
| pKa (I matapaetia) | 11.82±0.46 | Te Mahana Waiwawa Nui: 25 °C |
Nga Ataata Canonical O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
NGĀ ATA ISOMER [C@H]([C@@H](CC(OC(C)(C)C)=O)O)(NC(OCC1=CC=CC=C1)=O)[C@H] (CC)C
InChI
InChI=1S/C20H31NO5/c1-6-14(2)18(16(22)12-17(23)26-20(3,4)5)21-19(24)25-13-15-10- 8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3,(H,21,24)/t14-,16+,18-/ m0/s1
Kī InChI
AZTSBAWJROLRIQ-LESCRADOSA-N
| Nga rawa e waatea ana |
| Koiora |
| Te matū |
| Kiato |
| Lipinski |
| Hanganga e Pa ana |
| Ngawha |
Koiora
| Taonga | Uara | Tikanga | Puna |
| Tauwehe Bioconcentration | 616 | pH 1; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 2; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 3; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 4; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 5; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 6; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 7; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 617 | pH 8; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 616 | pH 9; Te Mamahana: 25 °C | (1) ACD |
| Tauwehe Bioconcentration | 604 | pH 10; Te Mamahana: 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 | 3450 | pH 1; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 4; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Te Mamahana: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 1; Te Mamahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| rangitakiD | 3.97 | pH 2; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 3; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 4; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 5; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 6; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 7; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 8; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.97 | pH 9; Te Mamahana: 25 °C | (1) ACD |
| rangitakiD | 3.96 | pH 10; Te Mamahana: 25 °C | (1) ACD |
| rangitakiP | 3.974±0.543 | Te Mamahana: 25 °C | (1) ACD |
| Te Wairewa o roto | 0.062 g/L | Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
| Wairewa Papatipu | 0.062 g/L | Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.7 x 10-4 mol/L | Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 1; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 2; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 3; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 4; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 5; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 6; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 7; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 8; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 9; Te Mamahana: 25 °C | (1) ACD |
| Taonga | Uara | Tikanga | Puna |
| Molar Solubility | 1.7 x 10-4 mol/L | pH 10; Te Mamahana: 25 °C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol/L | Te Wai Kore Kore Te pH 6.99; Te Mamahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 365.46 | ||
| pKa | 11.82±0.46 | Te Mahana Waiwawa Nui: 25 °C | (1) ACD |
| pKa | -1.56±0.70 | Te Mahana Matua: 25 °C | (1) ACD |
| Pehenga Kohu | 5.56 x 10-11 Torr | Te Mamahana: 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 | 1.091±0.06 g/cm3 | Te Mahana: 20 °C; Perehi: 760 Torr | (1) ACD |
| Rōrahi Moara | 334.7±3.0 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 | 12 | (1) ACD | |
| H Nga Kaiwhiwhi | 6 | (1) ACD | |
| H Nga Kaituku | 2 | (1) ACD | |
| H Tapeke Kaituku/Kaiwhiwhi | 8 | (1) ACD | |
| rangitakiP | 3.974±0.543 | Te Mamahana: 25 °C | (1) ACD |
| Taumaha rāpoi | 365.46 |
(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 | 84.9 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 | 504.1±50.0 °C | Perehi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 81.44±3.0 kJ/mol | Perehi: 760 Torr | (1) ACD |
| Tohu Kohiko | 258.6±30.1 °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 |
| H301 | He paitini ki te horomia | European Chemical Agency (ECHA) Classification & Labeling Inventory - Whakam |
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