methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate · CAS 156726-98-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
- CAS
- 156726-98-6
- CID
- 46783737
- IUPAC 名称
- methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
- CAS
- 156726-98-6
- CID
- 46783737
- IUPAC 名称
- methyl (2S,3S,4S,5S)-5-acetamido-2,4-diacetyloxy-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
分子属性
- 分子式
- C28H35NO14S
- 分子量
- 641.6 g/mol
- 精确质量
- 641.17782596 Da
- 单同位素质量
- 641.17782596 Da
- XLogP
- 1.1
- 极性表面积
- 221 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 18
- 重原子数
- 44
- 净电荷
- 0
- 结构复杂度
- 1090
结构标识
- InChIKey
- NZFKVWJLAMASCK-IYUIIGPTSA-N
- SMILES
- CC(=O)N[C@@H]1[C@@H]([C@@H]([C@](OC1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)SC2=CC=CC=C2)OC(=O)C
- InChI
- InChI=1S/C28H35NO14S/c1-14(30)29-22-24(23(40-17(4)33)21(39-16(3)32)13-38-15(2)31)43-28(27(36)37-7,42-19(6)35)26(25(22)41-18(5)34)44-20-11-9-8-10-12-20/h8-12,21-26H,13H2,1-7H3,(H,29,30)/t21-,22+,23-,24?,25+,26+,28+/m1/s1