52227-66-4 ([5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[3-羟基-3-[2-[2-(3-羟基-2-甲基-丁酰基)磺酰基氨基甲酰基]乙基氨基甲酰基]-2,2-二甲基丙氧基]-磷酰基]氧磷酰基]氧甲基]氧代烷-3-基]氧膦酸,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid)

CAS号:
52227-66-4
中文名称:
[5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[3-羟基-3-[2-[2-(3-羟基-2-甲基-丁酰基)磺酰基氨基甲酰基]乙基氨基甲酰基]-2,2-二甲基丙氧基]-磷酰基]氧磷酰基]氧甲基]氧代烷-3-基]氧膦酸
英文名称:
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
分子式:
C26H44N7O22P3S
分子量:
931.647548675537

[5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[3-羟基-3-[2-[2-(3-羟基-2-甲基-丁酰基)磺酰基氨基甲酰基]乙基氨基甲酰基]-2,2-二甲基丙氧基]-磷酰基]氧磷酰基]氧甲基]氧代烷-3-基]氧膦酸(52227-66-4)名称与标识符

名称

英文别名:
Dehydrogenase,2-methyl-3-hydroxybutyryl coenzyme A;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]o;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-3-[2-[2-(3-hydroxy-2-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;2-Methyl-3-hydroxybutyryl-CoA;

标识符

InChIKey:
BPIKJFQEJROXSH-UHFFFAOYSA-N
Inchi:
1S/C26H44N7O22P3S/c1-12(13(2)34)24(39)59-8-7-28-15(35)5-6-29-22(38)19(37)25(3,4)26(40,41)52-53-58(47,48)55-54-57(45,46)49-9-14-18(51-56(42,43)44)17(36)23(50-14)33-11-32-16-20(27)30-10-31-21(16)33/h10-14,17-19,23,34,36-37,40-41H,5-9H2,1-4H3,(H,28,35)(H,29,38)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)
SMILES:
O(P(O)(O)=O)C1C(O)C(N2C3=C(N=C2)C(N)=NC=N3)OC1COP(O)(OOP(O)(OOC(O)(O)C(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C)C(O)C)=O)=O

[5-(6-氨基嘌呤-9-基)-4-羟基-2-[[羟基-[3-羟基-3-[2-[2-(3-羟基-2-甲基-丁酰基)磺酰基氨基甲酰基]乙基氨基甲酰基]-2,2-二甲基丙氧基]-磷酰基]氧磷酰基]氧甲基]氧代烷-3-基]氧膦酸(52227-66-4)物化性质

实验特性

  • 折射率 : 1.702
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 1.84