Vincristine EP Impurity D
Vincristine EP Impurity D · CAS 3704-01-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Vincristine EP Impurity D
- CAS
- 3704-01-6
- CID
- 11765772
- IUPAC 名称
- methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10,11-dihydroxy-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 EP Impurity D
- CAS
- 3704-01-6
- CID
- 11765772
- IUPAC 名称
- methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10,11-dihydroxy-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
- C44H54N4O9
- 分子量
- 782.9 g/mol
- 精确质量
- 782.38907931 Da
- 单同位素质量
- 782.38907931 Da
- XLogP
- 2.8
- 极性表面积
- 165 Ų
- 氢键供体
- 4
- 氢键受体
- 11
- 可旋转键
- 8
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1630
结构标识
- InChIKey
- YIQATJBOCJPFCF-PETVRERISA-N
- SMILES
- CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)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)O)CC)OC)C(=O)OC)O
- InChI
- InChI=1S/C44H54N4O9/c1-6-40(53)21-26-22-43(38(51)56-4,34-28(13-17-46(23-26)24-40)27-11-8-9-12-31(27)45-34)30-19-29-32(20-33(30)55-3)48(25-49)36-42(29)15-18-47-16-10-14-41(7-2,35(42)47)37(50)44(36,54)39(52)57-5/h8-12,14,19-20,25-26,35-37,45,50,53-54H,6-7,13,15-18,21-24H2,1-5H3/t26-,35+,36-,37-,40+,41-,42-,43+,44+/m1/s1