ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxo-4H-chromene-2-carboxylate

• ChemBase编号: 185011
• 分子式: C25H20O11
• 平均质量: 496.4197
• 单一同位素质量: 496.10056146
• SMILES: c1(c(oc2c(c1=O)ccc(c2)OCc1oc(C(=O)OC)cc1)C(=O)OCC)c1oc(cc1)C(=O)OC
• Canonical SMILES: CCOC(=O)c1oc2cc(OCc3ccc(o3)C(=O)OC)ccc2c(=O)c1c1ccc(o1)C(=O)OC
• InChI: InChI=1S/C25H20O11/c1-4-32-25(29)22-20(16-9-10-18(35-16)24(28)31-3)21(26)15-7-5-13(11-19(15)36-22)33-12-14-6-8-17(34-14)23(27)30-2/h5-11H,4,12H2,1-3H3
• InChIKey: RYJXEZYFJKUGNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxo-4H-chromene-2-carboxylate
• IUPAC传统名: ethyl 3-[5-(methoxycarbonyl)furan-2-yl]-7-{[5-(methoxycarbonyl)furan-2-yl]methoxy}-4-oxochromene-2-carboxylate

登记号

• PubChem SID: 164240921
• PubChem CID: 984059

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.2354815
• LogD (pH = 7.4): 3.2354815
• Log P: 3.2354815
• 摩尔折射率: 122.2264 cm^3
• 极化性: 46.48611 Å^3
• 极化表面积: 140.71 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: Derivatives & analogs of Natural Compounds