1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4-tri-O-benzoyl-a-L-fucopyranosyl)-a-D-galactopyranose
1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4-tri-O-benzoyl-a-L-fucopyranosyl)-a-D-galactopyranose · CAS 141990-06-9
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4-tri-O-benzoyl-a-L-fucopyranosyl)-a-D-galactopyranose
- CAS
- 141990-06-9
- CID
- 71752398
- IUPAC 名称
- [(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-2-methyl-6-[(3R,4S,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl] benzoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1,3,4,6-Tetra-O-acetyl-2-O-(2,3,4-tri-O-benzoyl-a-L-fucopyranosyl)-a-D-galactopyranose
- CAS
- 141990-06-9
- CID
- 71752398
- IUPAC 名称
- [(2S,3R,4R,5S,6S)-4,5-dibenzoyloxy-2-methyl-6-[(3R,4S,5S,6R)-2,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxyoxan-3-yl] benzoate
分子属性
- 分子式
- C41H42O17
- 分子量
- 806.8 g/mol
- 精确质量
- 806.24219987 Da
- 单同位素质量
- 806.24219987 Da
- XLogP
- 4.8
- 极性表面积
- 212 Ų
- 氢键供体
- 0
- 氢键受体
- 17
- 可旋转键
- 20
- 重原子数
- 58
- 净电荷
- 0
- 结构复杂度
- 1450
结构标识
- InChIKey
- GIVZWLZTZAUPTQ-LSKXOMQQSA-N
- SMILES
- C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
- InChI
- InChI=1S/C41H42O17/c1-22-31(55-37(46)27-15-9-6-10-16-27)33(56-38(47)28-17-11-7-12-18-28)35(57-39(48)29-19-13-8-14-20-29)40(50-22)58-36-34(52-25(4)44)32(51-24(3)43)30(21-49-23(2)42)54-41(36)53-26(5)45/h6-20,22,30-36,40-41H,21H2,1-5H3/t22-,30+,31+,32-,33+,34-,35-,36+,40-,41?/m0/s1