(2R,3R,4S,5S,6R)-2,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]-3-{[(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxane

• ChemBase编号: 161961
• 分子式: C68H70O11
• 平均质量: 1063.2768
• 单一同位素质量: 1062.49181306
• SMILES: [C@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COCc1ccccc1)OCc1ccccc1)O[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)COCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1O[C@@H](COCc2ccccc2)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](COCc2ccccc2)[C@H]([C@@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C68H70O11/c1-9-25-51(26-10-1)41-69-49-59-62(72-44-54-31-15-4-16-32-54)64(74-46-56-35-19-6-20-36-56)66(67(77-59)76-48-58-39-23-8-24-40-58)79-68-65(75-47-57-37-21-7-22-38-57)63(73-45-55-33-17-5-18-34-55)61(71-43-53-29-13-3-14-30-53)60(78-68)50-70-42-52-27-11-2-12-28-52/h1-40,59-68H,41-50H2/t59-,60-,61-,62+,63+,64+,65-,66-,67-,68-/m1/s1
• InChIKey: GLDUOSFSWOVRFH-JNRSPTDXSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5S,6R)-2,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]-3-{[(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxane
• IUPAC传统名: (2R,3R,4S,5S,6R)-2,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]-3-{[(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]oxy}oxane
• 别名: Benzyl 2-O-(2,3,4,6-tetra-O-benzyl-α-D-glucopyranosyl)- 3,4,6-tri-O-benzyl-β-D-galactopyranoside

登记号

• CAS号: 64694-20-8
• PubChem SID: 162256096
• PubChem CID: 71313935

理论计算性质

• 质子受体: 11
• 质子供体: 0
• LogD (pH = 5.5): 14.237422
• LogD (pH = 7.4): 14.237422
• Log P: 14.237422
• 摩尔折射率: 303.2471 cm^3
• 极化性: 120.47414 Å^3
• 极化表面积: 101.53 Å^2
• 可自由旋转的化学键: 28
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Ethyl Acetate; Toluene
• 外观: Light Yellow Oil