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 na Malipo ya Wakala wa Kemikali wa Ulaya (ECHA) - Uainishaji ulioarifiwa na uwekaji lebo - arifa zinazojulikana zaidi, Uainishaji wa Wakala wa Kemikali wa Ulaya (ECHA) & Orodha ya Kuweka Lebo - Uainishaji ulioarifiwa na uwekaji lebo - arifa muhimu zaidi. |