Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate) · CAS 146622-45-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
- CAS
- 146622-45-9
- CID
- 386
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Coenzyme A, S-(3,7,11,15-tetramethylhexadecanoate)
- CAS
- 146622-45-9
- CID
- 386
- IUPAC 名称
- S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3,7,11,15-tetramethylhexadecanethioate
分子属性
- 分子式
- C41H74N7O17P3S
- 分子量
- 1062.1 g/mol
- 精确质量
- 1061.40747608 Da
- 单同位素质量
- 1061.40747608 Da
- XLogP
- 2.9
- 极性表面积
- 389 Ų
- 氢键供体
- 9
- 氢键受体
- 22
- 可旋转键
- 34
- 重原子数
- 69
- 净电荷
- 0
- 结构复杂度
- 1760
结构标识
- InChIKey
- NRJQGHHZMSOUEN-UHFFFAOYSA-N
- SMILES
- CC(C)CCCC(C)CCCC(C)CCCC(C)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/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)