8-(acetyloxy)-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl acetate

• ChemBase编号: 203537
• 分子式: C23H16O9
• 平均质量: 436.36774
• 单一同位素质量: 436.07943209
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(c(c(OC(=O)C)cc2)OC(=O)C)oc(=O)c1
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2OC(=O)C)OC(=O)C
• InChI: InChI=1S/C23H16O9/c1-11(24)29-18-8-7-14-15(10-19(26)31-21(14)22(18)30-12(2)25)16-9-13-5-4-6-17(28-3)20(13)32-23(16)27/h4-10H,1-3H3
• InChIKey: UKFWMVDQTJDVPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-(acetyloxy)-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl acetate
• IUPAC传统名: 8-(acetyloxy)-4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl acetate

登记号

• PubChem SID: 164259447
• PubChem CID: 1766578

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.9656518
• LogD (pH = 7.4): 1.9656518
• Log P: 1.9656518
• 摩尔折射率: 109.4601 cm^3
• 极化性: 42.149853 Å^3
• 极化表面积: 114.43 Å^2
• 可自由旋转的化学键: 6
• 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