Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)
Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3) · CAS 22465-48-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)
- CAS
- 22465-48-1
- CID
- 3082063
- IUPAC 名称
- cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;1-hydroxyethenolate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Cobinamide, Co-(acetato-kO)-, dihydrogen phosphate (ester), innersalt, 3'-ester with(5,6-dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole-kN3)
- CAS
- 22465-48-1
- CID
- 3082063
- IUPAC 名称
- cobalt(3+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate;1-hydroxyethenolate
分子属性
- 分子式
- C64H91CoN13O16P
- 分子量
- 1388.4 g/mol
- 精确质量
- 1387.577629 Da
- 单同位素质量
- 1387.577629 Da
- XLogP
- 暂无
- 极性表面积
- 495 Ų
- 氢键供体
- 10
- 氢键受体
- 21
- 可旋转键
- 26
- 重原子数
- 95
- 净电荷
- 0
- 结构复杂度
- 3170
结构标识
- InChIKey
- GNTSRIATITTYSO-UHFFFAOYSA-K
- SMILES
- CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)C=C8C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.C=C(O)[O-].[Co+3]
- InChI
- InChI=1S/C62H90N13O14P.C2H4O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2(3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);3-4H,1H2;/q;;+3/p-3