trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate · CAS 84581-15-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
- CAS
- 84581-15-7
- CID
- 135985124
- IUPAC 名称
- trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
- CAS
- 84581-15-7
- CID
- 135985124
- IUPAC 名称
- trisodium;3-[(2S,3S,12Z)-18-carboxy-20-(carboxylatomethyl)-8-ethenyl-13-ethyl-3,7,17-trimethyl-12-(oxidomethylidene)-3,21-dihydro-2H-porphyrin-2-yl]propanoate
分子属性
- 分子式
- C34H31N4Na3O7
- 分子量
- 676.6 g/mol
- 精确质量
- 676.18858219 Da
- 单同位素质量
- 676.18858219 Da
- XLogP
- 暂无
- 极性表面积
- 190 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 6
- 重原子数
- 48
- 净电荷
- 0
- 结构复杂度
- 1810
结构标识
- InChIKey
- MYZGFRNUDDCPBZ-WWOTWYRBSA-K
- SMILES
- CCC\1=C2C=C3C(=C(C(=N3)C(=C4[C@H]([C@@H](C(=CC5=NC(=CC(=N2)/C1=C\[O-])C(=C5C)C=C)N4)C)CCC(=O)[O-])CC(=O)[O-])C(=O)O)C.[Na+].[Na+].[Na+]
- InChI
- InChI=1S/C34H34N4O7.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20,37,39H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3/b22-14-,24-11?,25-12?,26-13?,32-21?;;;/t16-,20-;;;/m0.../s1