[(3R,4S,5R)-3,4,5-tris(acetyloxy)-6-(naphthalen-1-yloxy)oxan-2-yl]methyl acetate

• ChemBase编号: 188422
• 分子式: C24H26O10
• 平均质量: 474.45724
• 单一同位素质量: 474.15259703
• SMILES: [C@H]1([C@H]([C@@H](C(OC1Oc1c2c(ccc1)cccc2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)OCC1OC(Oc2cccc3c2cccc3)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• InChI: InChI=1S/C24H26O10/c1-13(25)29-12-20-21(30-14(2)26)22(31-15(3)27)23(32-16(4)28)24(34-20)33-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,20-24H,12H2,1-4H3/t20?,21-,22+,23-,24?/m1/s1
• InChIKey: QQTKBTJDLPNOOS-SUFJTIFJSA-N

名称和登记号

名称

• IUPAC标准名: [(3R,4S,5R)-3,4,5-tris(acetyloxy)-6-(naphthalen-1-yloxy)oxan-2-yl]methyl acetate
• IUPAC传统名: [(3R,4S,5R)-3,4,5-tris(acetyloxy)-6-(naphthalen-1-yloxy)oxan-2-yl]methyl acetate

登记号

• PubChem SID: 164244332
• PubChem CID: 16397080

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.1555908
• LogD (pH = 7.4): 2.1555908
• Log P: 2.1555908
• 摩尔折射率: 113.2395 cm^3
• 极化性: 47.402374 Å^3
• 极化表面积: 123.66 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds