[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate · CAS 28463-28-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate
- CAS
- 28463-28-7
- CID
- 656537
- IUPAC 名称
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate
- CAS
- 28463-28-7
- CID
- 656537
- IUPAC 名称
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
分子属性
- 分子式
- C11H21NO10S2
- 分子量
- 391.4 g/mol
- 精确质量
- 391.06068821 Da
- 单同位素质量
- 391.06068821 Da
- XLogP
- -1.9
- 极性表面积
- 220 Ų
- 氢键供体
- 6
- 氢键受体
- 12
- 可旋转键
- 7
- 重原子数
- 24
- 净电荷
- 0
- 结构复杂度
- 545
结构标识
- InChIKey
- DYAQCRHEYVANDL-HOQQJHGQSA-N
- SMILES
- CC(C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
- InChI
- InChI=1S/C11H21NO10S2/c1-11(2,17)3-6(12-22-24(18,19)20)23-10-9(16)8(15)7(14)5(4-13)21-10/h5,7-10,13-17H,3-4H2,1-2H3,(H,18,19,20)/t5-,7-,8+,9-,10+/m1/s1