![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 Isithombe Esifakiwe](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
| Izici Zomzimba Eziyinhloko | Inani | Isimo |
| Isisindo samangqamuzana | 365.46 | - |
| Iphoyinti lokubilisa (elibikezelwe) | 504.1±50.0 °C | Cindezela: 760 Torr |
| Ukuminyana (Kubikezelwe) | 1.091±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr |
| pKa (Kubikezelwe) | 11.82±0.46 | Izinga Le-Acidic Elikhulu: 25 °C |
I-Canonical AMAMOTHEKA O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
I-Isomeric IMILESI [C@H]([C@@H](CC(OC(C)(C)C)=O)O)(NC(OCC1=CC=CC=C1)=O)[C@H](CC)C
I-InChI
I-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
Ukhiye we-InchI
I-AZTSBAWJROLRIQ-LESCRADOSA-N
| Izakhiwo ezitholakalayo |
| I-Biological |
| Amakhemikhali |
| Ukuminyana |
| I-Lipinski |
| Okuhlobene Nesakhiwo |
| Okushisayo |
I-Biological
| Impahla | Inani | Isimo | Umthombo |
| I-Bioconcentration Factor | 616 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 617 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 616 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Bioconcentration Factor | 604 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Amakhemikhali
| Impahla | Inani | Isimo | Umthombo |
| Koc | 3450 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| logD | 3.97 | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| logP | 3.974±0.543 | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Intrinsic Solubility | 0.062 g/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Mass Solubility | 0.062 g/L | Amanzi Angakhiqiziwe pH 6.99; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Intrinsic Solubility | 1.7 x 10-4 mol/L | Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | i-pH 1; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 2; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 3; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | i-pH 4; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 5; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 6; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 7; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 8; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 9; Izinga lokushisa: 25 °C | (1) ACD |
| Impahla | Inani | Isimo | Umthombo |
| I-Molar Solubility | 1.7 x 10-4 mol/L | pH 10; Izinga lokushisa: 25 °C | (1) ACD |
| I-Molar Solubility | 1.7 x 10-4 mol/L | Amanzi Angakhiqiziwe pH 6.99; Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 365.46 | ||
| pKa | 11.82±0.46 | Izinga Le-Acidic Elikhulu: 25 °C | (1) ACD |
| pKa | -1.56±0.70 | Izinga Lokushisa Eziyisisekelo: 25 °C | (1) ACD |
| I-Vapor Pressure | 5.56 x 10-11 Torr | Izinga lokushisa: 25 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ukuminyana
| Impahla | Inani | Isimo | Umthombo |
| Ukuminyana | 1.091±0.06 g/cm3 | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
| Ivolumu ye-Molar | 334.7±3.0 cm3/mol | Izinga lokushisa: 20 °C; Cindezela: 760 Torr | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Lipinski
| Impahla | Inani | Isimo | Umthombo |
| Amabhondi Ashintshashintshayo Ngokukhululekile | 12 | (1) ACD | |
| H Abamukelayo | 6 | (1) ACD | |
| H Abanikeli | 2 | (1) ACD | |
| H Isamba Somnikeli/Umamukeli | 8 | (1) ACD | |
| logP | 3.974±0.543 | Izinga lokushisa: 25 °C | (1) ACD |
| Isisindo samangqamuzana | 365.46 |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okuhlobene Nesakhiwo
| Impahla | Inani | Isimo | Umthombo |
| Indawo ye-Polar Surface | 84.9 A2 | (1) ACD | |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Okushisayo
| Impahla | Inani | Isimo | Umthombo |
| Iphuzu elibilayo | 504.1±50.0 °C | Cindezela: 760 Torr | (1) ACD |
| I-Enthalpy ye-Vaporization | 81.44±3.0 kJ/mol | Cindezela: 760 Torr | (1) ACD |
| I-Flash Point | 258.6±30.1 °C | (1) ACD |
(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
I-Spectra iyatholakala
1H NMR
13C NMR
| Ikhodi | Isitatimende Sengozi | Umthombo |
| H301 | Ubuthi uma ugwinywe | I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Izigaba ezaziswe nokulebula - izaziso ezivame kakhulu, I-European Chemical Agency (ECHA) Classification&Labelling Inventory - Isigaba esazisiwe kanye nokulebula - izaziso ezibucayi kakhulu |
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