![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) Chithunzi cha H301](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
| Zofunika Zathupi | Mtengo | Mkhalidwe |
| Kulemera kwa Maselo | 365.46 | - |
| Boiling Point (Zonenedweratu) | 504.1±50.0 °C | Press: 760 Torr |
| Kachulukidwe (Zonenedweratu) | 1.091±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr |
| pKa (Zonenedweratu) | 11.82±0.46 | Kutentha Kwambiri kwa Acid: 25 ° C |
Canonical AMAmwetulira O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
Isomeric SMILES [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
InChi Key
AZTSBAWJROLRIQ-LESCRADOSA-N
| Katundu zilipo |
| Zachilengedwe |
| Chemical |
| Kuchulukana |
| Lipinski |
| Zogwirizana ndi Kapangidwe |
| Kutentha |
Zachilengedwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Bioconcentration Factor | 616 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 617 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 616 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Bioconcentration Factor | 604 | pH 10; Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Koc | 3450 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 2; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 3; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 4; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 5; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 6; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 7; Kutentha: 25 ° C | (1) ACD |
| Koc | 3460 | pH 8; Kutentha: 25 ° C | (1) ACD |
| Koc | 3450 | pH 9; Kutentha: 25 ° C | (1) ACD |
| Koc | 3390 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 1; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| logD | 3.97 | pH 2; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 3; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 4; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 5; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 6; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 7; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 8; Kutentha: 25 ° C | (1) ACD |
| logD | 3.97 | pH 9; Kutentha: 25 ° C | (1) ACD |
| logD | 3.96 | pH 10; Kutentha: 25 ° C | (1) ACD |
| logP | 3.974±0.543 | Kutentha: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 0.062 g/L | Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Misa Solubility | 0.062 g/L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
| Molar Intrinsic Solubility | 1.7 x 10-4 mol / L | Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 1; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 2; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 3; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 4; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 5; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 6; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 7; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 8; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 9; Kutentha: 25 ° C | (1) ACD |
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Molar Solubility | 1.7 x 10-4 mol / L | pH 10; Kutentha: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 mol / L | Madzi Osasunthika pH 6.99; Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 365.46 | ||
| pKa | 11.82±0.46 | Kutentha Kwambiri kwa Acid: 25 ° C | (1) ACD |
| pKa | -1.56±0.70 | Kutentha Kwambiri Kwambiri: 25 °C | (1) ACD |
| Kuthamanga kwa Vapor | 5.56 x 10-11 torr | Kutentha: 25 ° C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kuchulukana
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Kuchulukana | 1.091±0.06 g/cm3 | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar Volume | 334.7±3.0 cm3/mol | Kutentha: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Ma Bond Osinthasintha Mwaulere | 12 | (1) ACD | |
| H Olandira | 6 | (1) ACD | |
| H Opereka | 2 | (1) ACD | |
| H Chiwerengero cha Wopereka / Wolandira | 8 | (1) ACD | |
| logP | 3.974±0.543 | Kutentha: 25 ° C | (1) ACD |
| Kulemera kwa Maselo | 365.46 |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Zogwirizana ndi Kapangidwe
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Malo a Polar Surface | 84.9 A2 | (1) ACD | |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kutentha
| Katundu | Mtengo | Mkhalidwe | Gwero |
| Boiling Point | 504.1±50.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 81.44±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Pophulikira | 258.6±30.1 °C | (1) ACD |
(1) Owerengedwa pogwiritsa ntchito Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra ilipo
1H NMR
13C NMR
| Kodi | Chidziwitso Chowopsa | Gwero |
| H301 | Poizoni akameza | Gulu la European Chemical Agency (ECHA) Classification&Labelling Inventory - Gulu lodziwitsidwa ndi zilembo - zidziwitso zodziwika bwino, Gulu la European Chemical Agency (ECHA) Gulu & Zolemba Zolemba - Gulu lodziwitsidwa ndi zilembo - zidziwitso zazikulu kwambiri |
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