Vincristine N-Oxide
Vincristine N-Oxide · CAS 947527-73-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vincristine N-Oxide
- CAS
- 947527-73-3
- CID
- 71752950
- IUPAC 名称
- methyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vincristine N-Oxide
- CAS
- 947527-73-3
- CID
- 71752950
- IUPAC 名称
- methyl (1R,9R,10S,11S,12R,19R)-11-acetyloxy-12-ethyl-4-[(1S,13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1-oxido-11-aza-1-azoniatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
分子属性
- 分子式
- C46H56N4O11
- 分子量
- 841 g/mol
- 精确质量
- 840.39455862 Da
- 单同位素质量
- 840.39455862 Da
- XLogP
- 2.3
- 极性表面积
- 186 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 10
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1800
结构标识
- InChIKey
- RMXAXRWGUNEVQR-PQWPLOBDSA-N
- SMILES
- CC[C@@]1(C[C@@H]2C[C@@](C3=C(CC[N@+](C2)(C1)[O-])C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O
- InChI
- InChI=1S/C46H56N4O11/c1-7-42(55)22-28-23-45(40(53)59-5,36-30(14-19-50(57,24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)58-4)49(26-51)38-44(31)16-18-48-17-11-15-43(8-2,37(44)48)39(61-27(3)52)46(38,56)41(54)60-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39+,42+,43-,44-,45+,46+,50+/m1/s1