2-[6-(4-Aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
2-[6-(4-Aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol · CAS 68636-51-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[6-(4-Aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- CAS
- 68636-51-1
- CID
- 4145137
- IUPAC 名称
- 2-[6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[6-(4-Aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- CAS
- 68636-51-1
- CID
- 4145137
- IUPAC 名称
- 2-[6-(4-aminophenyl)sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
分子属性
- 分子式
- C18H27NO10S
- 分子量
- 449.5 g/mol
- 精确质量
- 449.13556723 Da
- 单同位素质量
- 449.13556723 Da
- XLogP
- -2.5
- 极性表面积
- 221 Ų
- 氢键供体
- 8
- 氢键受体
- 12
- 可旋转键
- 6
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 539
结构标识
- InChIKey
- RIQWCPMDWZXHSW-UHFFFAOYSA-N
- SMILES
- C1=CC(=CC=C1N)SC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
- InChI
- InChI=1S/C18H27NO10S/c19-7-1-3-8(4-2-7)30-18-15(26)13(24)16(10(6-21)28-18)29-17-14(25)12(23)11(22)9(5-20)27-17/h1-4,9-18,20-26H,5-6,19H2