Rifamycin, {3-[(4-methyl-1-piperazinyl)methyl]-}
Rifamycin, {3-[(4-methyl-1-piperazinyl)methyl]-} · CAS 4075-44-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Rifamycin, {3-[(4-methyl-1-piperazinyl)methyl]-}
- CAS
- 4075-44-9
- CID
- 4985372
- IUPAC 名称
- [2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperazin-1-yl)methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Rifamycin, {3-[(4-methyl-1-piperazinyl)methyl]-}
- CAS
- 4075-44-9
- CID
- 4985372
- IUPAC 名称
- [2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperazin-1-yl)methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
分子属性
- 分子式
- C43H59N3O12
- 分子量
- 809.9 g/mol
- 精确质量
- 809.40987433 Da
- 单同位素质量
- 809.40987433 Da
- XLogP
- 4.6
- 极性表面积
- 208 Ų
- 氢键供体
- 6
- 氢键受体
- 14
- 可旋转键
- 5
- 重原子数
- 58
- 净电荷
- 0
- 结构复杂度
- 1550
结构标识
- InChIKey
- JIJQRBWJNKPMEO-UHFFFAOYSA-N
- SMILES
- CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCN(CC5)C)C
- InChI
- InChI=1S/C43H59N3O12/c1-21-12-11-13-22(2)42(54)44-33-28(20-46-17-15-45(9)16-18-46)37(51)30-31(38(33)52)36(50)26(6)40-32(30)41(53)43(8,58-40)56-19-14-29(55-10)23(3)39(57-27(7)47)25(5)35(49)24(4)34(21)48/h11-14,19,21,23-25,29,34-35,39,48-52H,15-18,20H2,1-10H3,(H,44,54)