N-Acetyl Amphotericin B
N-Acetyl Amphotericin B · CAS 902457-23-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-Acetyl Amphotericin B
- CAS
- 902457-23-2
- CID
- 46779946
- IUPAC 名称
- (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-Acetyl Amphotericin B
- CAS
- 902457-23-2
- CID
- 46779946
- IUPAC 名称
- (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl)oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
分子属性
- 分子式
- C49H75NO18
- 分子量
- 966.1 g/mol
- 精确质量
- 965.49841454 Da
- 单同位素质量
- 965.49841454 Da
- XLogP
- 2.5
- 极性表面积
- 323 Ų
- 氢键供体
- 12
- 氢键受体
- 18
- 可旋转键
- 4
- 重原子数
- 68
- 净电荷
- 0
- 结构复杂度
- 1780
结构标识
- InChIKey
- DIGUUNRLVBJXKB-DPYLJFENSA-N
- SMILES
- C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NC(=O)C)O
- InChI
- InChI=1S/C49H75NO18/c1-28-18-16-14-12-10-8-6-7-9-11-13-15-17-19-36(67-48-46(61)43(50-32(5)51)45(60)31(4)66-48)25-40-42(47(62)63)39(57)27-49(64,68-40)26-35(54)23-38(56)37(55)21-20-33(52)22-34(53)24-41(58)65-30(3)29(2)44(28)59/h6-19,28-31,33-40,42-46,48,52-57,59-61,64H,20-27H2,1-5H3,(H,50,51)(H,62,63)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t28-,29-,30-,31?,33+,34+,35-,36-,37+,38+,39-,40-,42+,43?,44+,45?,46?,48?,49+/m0/s1