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

• ChemBase编号: 174978
• 分子式: C24H26O10
• 平均质量: 474.45724
• 单一同位素质量: 474.15259703
• SMILES: c1(ccc2c(c1)cccc2)O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
• Canonical SMILES: CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(c2)cccc3)[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)33-19-10-9-17-7-5-6-8-18(17)11-19/h5-11,20-24H,12H2,1-4H3/t20-,21-,22+,23-,24-/m1/s1
• InChIKey: VBWBRAIDMPRMHW-GNADVCDUSA-N

名称和登记号

名称

• IUPAC标准名: [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(naphthalen-2-yloxy)oxan-2-yl]methyl acetate
• IUPAC传统名: [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(naphthalen-2-yloxy)oxan-2-yl]methyl acetate
• 别名: 2-Naphthalenyl β-D-Glucopyranoside Tetraacetate; 2-Naphthyl β-D-Glucopyranoside Tetraacetate; β-Naphthyl β-D-Glucopyranoside Tetraacetate

登记号

• CAS号: 14581-89-6
• PubChem SID: 164230888
• PubChem CID: 2728826

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: 47.398685 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

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate