Methyl (Phenyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
Methyl (Phenyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate · CAS 934591-76-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl (Phenyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
- CAS
- 934591-76-1
- CID
- 16121250
- IUPAC 名称
- methyl (3aR,4R,6R,7aS)-3-acetyl-2-oxo-6-phenylsulfanyl-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole-6-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl (Phenyl 5-Acetamido-7,8,9-tri-O-acetyl-5-N,4-O-carbonyl-3,5-dideoxy-2-thio-beta-D-glycero-D-galacto-2-nonulopyranosid)onate
- CAS
- 934591-76-1
- CID
- 16121250
- IUPAC 名称
- methyl (3aR,4R,6R,7aS)-3-acetyl-2-oxo-6-phenylsulfanyl-4-[(1S,2R)-1,2,3-triacetyloxypropyl]-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole-6-carboxylate
分子属性
- 分子式
- C25H29NO12S
- 分子量
- 567.6 g/mol
- 精确质量
- 567.14104653 Da
- 单同位素质量
- 567.14104653 Da
- XLogP
- 1.7
- 极性表面积
- 186 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 13
- 重原子数
- 39
- 净电荷
- 0
- 结构复杂度
- 982
结构标识
- InChIKey
- CVMYPHWPKCZUMN-TUTCKEIYSA-N
- SMILES
- CC(=O)N1[C@@H]2[C@H](C[C@](O[C@H]2[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)SC3=CC=CC=C3)OC1=O
- InChI
- InChI=1S/C25H29NO12S/c1-13(27)26-20-18(37-24(26)32)11-25(23(31)33-5,39-17-9-7-6-8-10-17)38-22(20)21(36-16(4)30)19(35-15(3)29)12-34-14(2)28/h6-10,18-22H,11-12H2,1-5H3/t18-,19+,20+,21+,22+,25+/m0/s1