(3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate

• ChemBase编号: 166010
• 分子式: C11H16O7
• 平均质量: 260.24054
• 单一同位素质量: 260.08960285
• SMILES: C1[C@H]([C@H](C[C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[C@@H]1OC[C@H]([C@H](C1)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C11H16O7/c1-6(12)16-9-4-11(18-8(3)14)15-5-10(9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10+,11-/m0/s1
• InChIKey: DJXJTSGHFMVUCG-AXFHLTTASA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate
• IUPAC传统名: (3R,4S,6S)-4,6-bis(acetyloxy)oxan-3-yl acetate
• 别名: β-D-2-Deoxy-ribopyranose Triacetate; 2-Deoxy-β-D-erythro-pentopyranose Triacetate; 2-Deoxy-D-ribose 1,3,4-Triacetate

登记号

• CAS号: 4258-01-9
• PubChem SID: 162260143
• PubChem CID: 9856496

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.078189984
• LogD (pH = 7.4): -0.078189984
• Log P: -0.078189984
• 摩尔折射率: 55.9047 cm^3
• 极化性: 23.490639 Å^3
• 极化表面积: 88.13 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Toluene
• 外观: White Solid

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - D252005

Protected 2-Deoxy-D-ribose (D252000). Induces apoptosis by inhibiting the synthesis and increasing the efflux of glutathione.

参考文献

• Fico, A., et al.: Free Radical Biology & Medicine, 45, 211 (2008)