[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate
[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate · CAS 34482-63-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate
- CAS
- 34482-63-8
- CID
- 22593306
- IUPAC 名称
- [2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate
- CAS
- 34482-63-8
- CID
- 22593306
- IUPAC 名称
- [2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] 2-methylpropanoate
分子属性
- 分子式
- C18H30O13
- 分子量
- 454.4 g/mol
- 精确质量
- 454.16864101 Da
- 单同位素质量
- 454.16864101 Da
- XLogP
- -2.1
- 极性表面积
- 202 Ų
- 氢键供体
- 6
- 氢键受体
- 13
- 可旋转键
- 10
- 重原子数
- 31
- 净电荷
- 0
- 结构复杂度
- 628
结构标识
- InChIKey
- SOFLHPFCJKLSJL-UHFFFAOYSA-N
- SMILES
- CC(C)C(=O)OC1C(C(OC1(COC(=O)C)OC2C(C(C(C(O2)CO)O)O)O)CO)O
- InChI
- InChI=1S/C18H30O13/c1-7(2)16(26)29-15-12(23)10(5-20)30-18(15,6-27-8(3)21)31-17-14(25)13(24)11(22)9(4-19)28-17/h7,9-15,17,19-20,22-25H,4-6H2,1-3H3