![C20H31NO5 Asidi ya Heptanoic, 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 Asidi ya Heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301 Picha Iliyoangaziwa](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 Asidi ya Heptanoic, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Sifa Muhimu za Kimwili | Thamani | Hali |
| Uzito wa Masi | 365.46 | - |
| Kiwango cha Kuchemka (Iliyotabiriwa) | 504.1±50.0 °C | Bonyeza: 760 Torr |
| Msongamano (Uliotabiriwa) | 1.091±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
| pKa (Iliyotabiriwa) | 11.82±0.46 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
TABASAMU ZA Isomeric [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
Ufunguo wa InChi
AZTSBAWJROLRIQ-LESCRADOSA-N
| Mali zinazopatikana |
| Kibiolojia |
| Kemikali |
| Msongamano |
| Lipinski |
| Kuhusiana na Muundo |
| Joto |
Kibiolojia
| Mali | Thamani | Hali | Chanzo |
| Kipengele cha Mkusanyiko wa Kibiolojia | 616 | pH 1; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 2; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 3; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 4; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 5; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 6; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 7; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 617 | pH 8; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 616 | pH 9; Joto: 25 °C | (1) ACD |
| Kipengele cha Mkusanyiko wa Kibiolojia | 604 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Mali | Thamani | Hali | Chanzo |
| Koc | 3450 | pH 1; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 4; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Joto: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Joto: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Joto: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Joto: 25 °C | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| logD | 3.97 | pH 2; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Joto: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Joto: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Joto: 25 °C | (1) ACD |
| logP | 3.974±0.543 | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Ndani wa Misa | 0.062 g/L | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 1; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 2; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 3; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 4; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 5; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 6; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 7; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 8; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 9; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | pH 10; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Misa | 0.062 g/L | Maji yasio na buffered pH 6.99; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Ndani wa Molar | 1.7 x 10-4 mol/L | Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 1; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 2; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 3; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 4; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 5; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 6; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 7; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 8; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 9; Joto: 25 °C | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | pH 10; Joto: 25 °C | (1) ACD |
| Umumunyifu wa Molar | 1.7 x 10-4 mol/L | Maji yasio na buffered pH 6.99; Joto: 25 °C | (1) ACD |
| Uzito wa Masi | 365.46 | ||
| pKa | 11.82±0.46 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
| pKa | -1.56±0.70 | Joto la Msingi Zaidi: 25 °C | (1) ACD |
| Shinikizo la Mvuke | 5.56 x 10-11 Torr | Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
| Mali | Thamani | Hali | Chanzo |
| Msongamano | 1.091±0.06 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
| Kiasi cha Molar | 334.7±3.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Mali | Thamani | Hali | Chanzo |
| Vifungo vinavyoweza kuzungushwa kwa Uhuru | 12 | (1) ACD | |
| H Wakubali | 6 | (1) ACD | |
| H Wafadhili | 2 | (1) ACD | |
| H Jumla ya Mfadhili/Mpokeaji | 8 | (1) ACD | |
| logP | 3.974±0.543 | Joto: 25 °C | (1) ACD |
| Uzito wa Masi | 365.46 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
| Mali | Thamani | Hali | Chanzo |
| Eneo la Uso wa Polar | 84.9 A2 | (1) ACD | |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Joto
| Mali | Thamani | Hali | Chanzo |
| Kiwango cha kuchemsha | 504.1±50.0 °C | Bonyeza: 760 Torr | (1) ACD |
| Enthalpy ya vaporization | 81.44±3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
| Kiwango cha Kiwango | 258.6±30.1 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR
| Kanuni | Taarifa ya Hatari | Chanzo |
| H301 | Sumu ikiwa imemeza | Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) & Orodha ya Uwekaji Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa za kawaida zaidi, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) & Orodha ya Kuweka Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi. |
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