methyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 227215
• 分子式: C23H20O9
• 平均质量: 440.3995
• 单一同位素质量: 440.11073222
• SMILES: c12c(OC(C2c2cc(c(OCC(=O)OC)cc2)OC)C(=O)OC)c2c(oc1=O)cccc2
• Canonical SMILES: COC(=O)C1Oc2c(C1c1ccc(c(c1)OC)OCC(=O)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H20O9/c1-27-16-10-12(8-9-15(16)30-11-17(24)28-2)18-19-20(32-21(18)23(26)29-3)13-6-4-5-7-14(13)31-22(19)25/h4-10,18,21H,11H2,1-3H3
• InChIKey: CHZQNUDYMAFKJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: methyl 3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164283125
• PubChem CID: 71754347

理论计算性质

• 里宾斯基五规则: true
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.707803
• LogD (pH = 7.4): 1.707803
• Log P: 1.707803
• 摩尔折射率: 109.7633 cm^3
• 极化性: 42.974293 Å^3
• 极化表面积: 106.59 Å^2
• 可自由旋转的化学键: 8

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds