900498-43-3 (({(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid)

结构式：

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acidMOL文件

CAS号：

900498-43-3

英文名称：

分子式：

C₂₁H₃₆N₇O₁₆P₃S

分子量：

767.53

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)名称与标识符

名称

英文别名：

CoA;CoA-SH;CoASH;coenzime A;Coenzym A;coenzyme A;coenzyme-A;HS-CoA;HSCoA;Pantetheine, 4-ester with 5'-pyrophosphate of adenosine 3'-phosphate (5CI);{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid;

标识符

InChIKey：

RGJOEKWQDUBAIZ-DRCCLKDXSA-N

Inchi：

InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1

SMILES：

CC(COP(O)(OP(O)(OC[C@@H]1[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O1)N2C=NC3=C(N=CN=C32)N)=O)=O)(C(O)C(NCCC(NCCS)=O)=O)C

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)物化性质

计算特性

氢键供体数量 : 9
氢键受体数量 : 23
可旋转化学键数量 : 20
重原子数量 : 48

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)推荐厂家更多厂家(1)

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960化工网为您提供{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.900498-43-3,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:900498-43-3 国际站:900498-43-3

900498-43-3 (({(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid)

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)名称与标识符

名称

标识符

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)物化性质

计算特性

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)推荐厂家 更多厂家(1)

目录

{(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid(900498-43-3)推荐厂家更多厂家(1)