(6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine

• ChemBase编号: 161419
• 分子式: C34H34O6
• 平均质量: 538.63016
• 单一同位素质量: 538.23553881
• SMILES: [C@H]1(C([C@@H](OC2[C@@H]1OC(OC2)c1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CO[C@@H]1C(OCc2ccccc2)[C@H](OCc2ccccc2)OC2[C@@H]1OC(OC2)c1ccccc1
• InChI: InChI=1S/C34H34O6/c1-5-13-25(14-6-1)21-35-31-30-29(24-38-33(40-30)28-19-11-4-12-20-28)39-34(37-23-27-17-9-3-10-18-27)32(31)36-22-26-15-7-2-8-16-26/h1-20,29-34H,21-24H2/t29?,30-,31-,32?,33?,34+/m0/s1
• InChIKey: GQMVOFUMWKGWCK-COIFCGFESA-N

名称和登记号

名称

• IUPAC标准名: (6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• IUPAC传统名: (6R,8S,8aS)-6,7,8-tris(benzyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxine
• 别名: Phenylmethyl 2,3-Bis-O-(phenylmethyl)-4,6-O-(phenylmethylene)-β-D-galactopyranoside; Benzyl 4,6-O-Benzylidene-2,3-di-O-benzyl-β-D-galactpyranoside

登记号

• CAS号: 57783-80-9
• PubChem SID: 162255554
• PubChem CID: 71313776

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 7.335339
• LogD (pH = 7.4): 7.335339
• Log P: 7.335339
• 摩尔折射率: 150.8984 cm^3
• 极化性: 60.206493 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false