(1R)-2-(acetyloxy)-1-[(2S,3S,4S)-3,4-bis(acetyloxy)-5-oxooxolan-2-yl]ethyl acetate

• ChemBase编号: 169815
• 分子式: C14H18O10
• 平均质量: 346.28672
• 单一同位素质量: 346.08999678
• SMILES: [C@H]1(C(=O)O[C@H]([C@@H]1OC(=O)C)[C@@H](COC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OC[C@H]([C@@H]1OC(=O)[C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C14H18O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-13H,5H2,1-4H3/t10-,11+,12+,13+/m1/s1
• InChIKey: DDWMFFZVZXMXCS-VOAKCMCISA-N

名称和登记号

名称

• IUPAC标准名: (1R)-2-(acetyloxy)-1-[(2S,3S,4S)-3,4-bis(acetyloxy)-5-oxooxolan-2-yl]ethyl acetate
• IUPAC传统名: (1R)-2-(acetyloxy)-1-[(2S,3S,4S)-3,4-bis(acetyloxy)-5-oxooxolan-2-yl]ethyl acetate
• 别名: D-Gulonic Acid-γ-lactone 2,3,5,6-Tetraacetate; D-Gulono-1,4-lactone 2,3,5,6-Tetraacetate

登记号

• CAS号: 136345-68-1
• PubChem SID: 162263947
• PubChem CID: 71317181

理论计算性质

• Acid pKa: 15.762274
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.98077154
• LogD (pH = 7.4): -0.98077154
• Log P: -0.98077154
• 摩尔折射率: 71.3848 cm^3
• 极化性: 30.03589 Å^3
• 极化表面积: 131.5 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• 外观: Off-White Solid
• 熔点: 88-93°C

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - G855005

D-Gulono-1,4-lactone derivative.