10:0 Coenzyme A, decanoyl Coenzyme A (ammonium salt), powder
10:0 Coenzyme A, decanoyl Coenzyme A (ammonium salt), powder · CAS 799812-83-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 10:0 Coenzyme A, decanoyl Coenzyme A (ammonium salt), powder
- CAS
- 799812-83-2
- CID
- 46907885
- IUPAC 名称
- triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-decanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 10:0 Coenzyme A, decanoyl Coenzyme A (ammonium salt), powder
- CAS
- 799812-83-2
- CID
- 46907885
- IUPAC 名称
- triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-decanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
分子属性
- 分子式
- C31H63N10O17P3S
- 分子量
- 972.9 g/mol
- 精确质量
- 972.33062275 Da
- 单同位素质量
- 972.33062275 Da
- XLogP
- 暂无
- 极性表面积
- 400 Ų
- 氢键供体
- 9
- 氢键受体
- 22
- 可旋转键
- 28
- 重原子数
- 62
- 净电荷
- 0
- 结构复杂度
- 1500
结构标识
- InChIKey
- IWPPTKRPCYMCQM-HGTZWQFESA-N
- SMILES
- CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]
- InChI
- InChI=1S/C31H54N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38;;;/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46);3*1H3/t20-,24?,25+,26+,30-;;;/m1.../s1