Acetoacetyl coenzyme A sodium salt
Acetoacetyl coenzyme A sodium salt · CAS 102029-52-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Acetoacetyl coenzyme A sodium salt
- CAS
- 102029-52-7
- CID
- 4087321
- IUPAC 名称
- [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Acetoacetyl coenzyme A sodium salt
- CAS
- 102029-52-7
- CID
- 4087321
- IUPAC 名称
- [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate
分子属性
- 分子式
- C25H37N7O18P3S-3
- 分子量
- 848.6 g/mol
- 精确质量
- 848.11286452 Da
- 单同位素质量
- 848.11286452 Da
- XLogP
- -6
- 极性表面积
- 414 Ų
- 氢键供体
- 6
- 氢键受体
- 23
- 可旋转键
- 21
- 重原子数
- 54
- 净电荷
- -3
- 结构复杂度
- 1470
结构标识
- InChIKey
- OJFDKHTZOUZBOS-UHFFFAOYSA-K
- SMILES
- CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O
- InChI
- InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-3