(2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate

• ChemBase编号: 174452
• 分子式: C32H34O9
• 平均质量: 562.60696
• 单一同位素质量: 562.22028267
• SMILES: O1[C@@H]([C@H]([C@H]([C@H]([C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C)OC(=O)C)OC(=O)C)OC
• Canonical SMILES: CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C32H34O9/c1-21(33)38-28-27(41-31(36-4)30(40-23(3)35)29(28)39-22(2)34)20-37-32(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27-31H,20H2,1-4H3/t27-,28+,29+,30-,31+/m1/s1
• InChIKey: CEIHIENXWVDRTC-NBCLCUQJSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate
• IUPAC传统名: (2S,3R,4S,5S,6R)-4,5-bis(acetyloxy)-2-methoxy-6-[(triphenylmethoxy)methyl]oxan-3-yl acetate
• 别名: Methyl 6-O-(Triphenylmethyl)-α-D-galactopyranoside Triacetate; 2,3,4-Triacetyl-6-trityl-α-methylgalactoside; Methyl 6-O-Trityl-2,3,4-tri-O-acetyl-α-D-galactopyranoside

登记号

• CAS号: 38982-56-8
• PubChem SID: 164230362
• PubChem CID: 7200318

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 4.834045
• LogD (pH = 7.4): 4.834045
• Log P: 4.834045
• 摩尔折射率: 147.9305 cm^3
• 极化性: 58.95119 Å^3
• 极化表面积: 106.59 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: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: White Solid