(2R,3R,4S,5R,6R)-4,5,6-tris(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-ol

• ChemBase编号: 161910
• 分子式: C34H36O6
• 平均质量: 540.64604
• 单一同位素质量: 540.25118887
• SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)O
• Canonical SMILES: O[C@@H]1[C@H](COCc2ccccc2)O[C@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C34H36O6/c35-31-30(25-36-21-26-13-5-1-6-14-26)40-34(39-24-29-19-11-4-12-20-29)33(38-23-28-17-9-3-10-18-28)32(31)37-22-27-15-7-2-8-16-27/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34-/m1/s1
• InChIKey: HYZRJGYIUDQFSY-BGSSSCFASA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5R,6R)-4,5,6-tris(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-ol
• IUPAC传统名: (2R,3R,4S,5R,6R)-4,5,6-tris(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-ol
• 别名: Phenylmethyl 2,3,6-Tris-O-(phenylmethyl)-β-D-glucopyranoside; Benzyl 2,3,6-Tri-O-benzyl-β-D-glucopyranoside; Benzyl 2,3,6-Tri-O-benzyl-β-D-glucopyranoside

登记号

• CAS号: 67831-42-9
• PubChem SID: 162256045
• PubChem CID: 11124400

理论计算性质

• Acid pKa: 13.046154
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 6.5378594
• LogD (pH = 7.4): 6.5378585
• Log P: 6.5378594
• 摩尔折射率: 153.3786 cm^3
• 极化性: 60.869522 Å^3
• 极化表面积: 66.38 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate
• 外观: White Powder