![C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) karbonyl] 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) karbonyl] amino]-, 1,1-dimethylethyl ester, [3R- (3R*,4S*,5S*)]- (9CI) H301 Sawirka](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Heptanoic acid, 3-hydroxy-5-methyl-4-[[(phenylmethoxy) karbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
| Miisaanka Molecular | 365.46 | - |
| Barta karkarinta (La saadaaliyay) | 504.1± 50.0 °C | Riix: 760 Torr |
| Cufnaanta (La saadaaliyay) | 1.091± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr |
| pKa (La saadaaliyay) | 11.82± 0.46 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical 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
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
Furaha InChi
AZTSBAWJROLRIQ-LESCRADOSA-N
| Guryaha la heli karo |
| Nafley |
| Kiimiko |
| Cufnaanta |
| Lipinski |
| Qaab-dhismeedka La Xiriira |
| Kulul |
Nafley
| Hanti | Qiimaha | Xaalad | Xigasho |
| Qodobka bioconcentration | 616 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 617 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 616 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Qodobka bioconcentration | 604 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kiimiko
| Hanti | Qiimaha | Xaalad | Xigasho |
| Koc | 3450 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 4; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Heerkulka: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Heerkulka: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Heerkulka: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| logD | 3.97 | pH 2; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Heerkulka: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Heerkulka: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Heerkulka: 25 °C | (1) ACD |
| logP | 3.974±0.543 | Heerkulka: 25 °C | (1) ACD |
| Solubility Mass Intrinsic | 0.062 g/L | Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Xalka tirada badan | 0.062 g/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
| Solubility Intrinsic Molar | 1.7 x 10-4 mol/L | Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
| Hanti | Qiimaha | Xaalad | Xigasho |
| Solubility Molar | 1.7 x 10-4 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
| Solubility Molar | 1.7 x 10-4 mol/L | Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 365.46 | ||
| pKa | 11.82± 0.46 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
| pKa | -1.56±0.70 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
| Cadaadis uumiga | 5.56 x 10-11 Torr | Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Cufnaanta
| Hanti | Qiimaha | Xaalad | Xigasho |
| Cufnaanta | 1.091± 0.06 g/cm3 | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
| Mugga Molar | 334.7± 3.0 cm3 / mol | Heerkulka: 20 °C; Riix: 760 Torr | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Hanti | Qiimaha | Xaalad | Xigasho |
| Boondhigyo si xor ah loo wareejin karo | 12 | (1) ACD | |
| H Aqbalayaasha | 6 | (1) ACD | |
| H Deeq-bixiyayaasha | 2 | (1) ACD | |
| Ku-deeqaha/Aqbalka Wadarta | 8 | (1) ACD | |
| logP | 3.974±0.543 | Heerkulka: 25 °C | (1) ACD |
| Miisaanka Molecular | 365.46 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Qaab-dhismeedka La Xiriira
| Hanti | Qiimaha | Xaalad | Xigasho |
| Aagga dusha sare ee Polar | 84.9 A2 | (1) ACD | |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kulul
| Hanti | Qiimaha | Xaalad | Xigasho |
| Barta Karsan | 504.1± 50.0 °C | Riix: 760 Torr | (1) ACD |
| Enthalpy of uumiga | 81.44± 3.0 kJ/mol | Riix: 760 Torr | (1) ACD |
| Barta Fiishka | 258.6±30.1C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1H NMR
13C NMR
| Koodhka | Bayaanka Khatarta | Xigasho |
| H301 | Sun ah haddii la liqo | Wakaalladda Kiimikada Yurub (ECHA) Kala-saarid&Alaab-qoritaan - Kala-saar Ogeysiis iyo calaamadeyn - ogaysiisyada ugu badan, Kala-soocidda Wakaaladda Kiimikada Yurub |
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