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

• ChemBase编号: 161914
• 分子式: C35H35F3O8S
• 平均质量: 672.7078096
• 单一同位素质量: 672.20047374
• SMILES: [C@H]1([C@@H]([C@@H]([C@@H](O[C@H]1COCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: O=S(=O)(C(F)(F)F)O[C@H]1[C@H](COCc2ccccc2)O[C@H]([C@H]([C@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C35H35F3O8S/c36-35(37,38)47(39,40)46-31-30(25-41-21-26-13-5-1-6-14-26)45-34(44-24-29-19-11-4-12-20-29)33(43-23-28-17-9-3-10-18-28)32(31)42-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30-,31+,32+,33-,34-/m1/s1
• InChIKey: ZZAHKHYZOOLOLW-BWNLSPMZSA-N

名称和登记号

名称

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

登记号

• CAS号: 182760-13-0
• PubChem SID: 162256049
• PubChem CID: 71313916

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 8.582434
• LogD (pH = 7.4): 8.582434
• Log P: 8.582434
• 摩尔折射率: 166.5815 cm^3
• 极化性: 66.16824 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: Yellow Powder