ethyl 4-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227267
• 分子式: C23H22O8
• 平均质量: 426.41598
• 单一同位素质量: 426.13146766
• SMILES: c12c(OC(C2c2cc(c(c(c2)OC)OC)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc(OC)c(c(c1)OC)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H22O8/c1-5-29-23(25)21-17(12-10-15(26-2)20(28-4)16(11-12)27-3)18-19(31-21)13-8-6-7-9-14(13)30-22(18)24/h6-11,17,21H,5H2,1-4H3
• InChIKey: KEQUDLRGCODJCC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 4-oxo-3-(3,4,5-trimethoxyphenyl)-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283177
• PubChem CID: 71754397

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.2830622
• LogD (pH = 7.4): 2.2830622
• Log P: 2.2830622
• 摩尔折射率: 110.1214 cm^3
• 极化性: 42.83943 Å^3
• 极化表面积: 89.52 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds