12:0 Coenzyme A, lauroyl Coenzyme A (ammonium salt), powder
12:0 Coenzyme A, lauroyl Coenzyme A (ammonium salt), powder · CAS 799812-84-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 12:0 Coenzyme A, lauroyl Coenzyme A (ammonium salt), powder
- CAS
- 799812-84-3
- CID
- 46907886
- IUPAC 名称
- triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-dodecanoylsulfanylethylamino)-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
- 12:0 Coenzyme A, lauroyl Coenzyme A (ammonium salt), powder
- CAS
- 799812-84-3
- CID
- 46907886
- IUPAC 名称
- triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-dodecanoylsulfanylethylamino)-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
- C33H67N10O17P3S
- 分子量
- 1000.9 g/mol
- 精确质量
- 1000.36192287 Da
- 单同位素质量
- 1000.36192287 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
- 30
- 重原子数
- 64
- 净电荷
- 0
- 结构复杂度
- 1530
结构标识
- InChIKey
- AEPZRRFJIKJEOI-LZDFHDLKSA-N
- SMILES
- CCCCCCCCCCCC(=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/C33H58N7O17P3S.3H3N/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40;;;/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48);3*1H3/t22-,26?,27+,28+,32-;;;/m1.../s1