4,5,14,15-tetramethoxy-9-oxa-1-azatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene-8,17-dione

• ChemBase编号: 186302
• 分子式: C19H17NO7
• 平均质量: 371.34078
• 单一同位素质量: 371.10050189
• SMILES: N12C(=O)c3c(C1OC(=O)c1c2cc(c(c1)OC)OC)ccc(c3OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)C(=O)OC1N2C(=O)c2c1ccc(c2OC)OC
• InChI: InChI=1S/C19H17NO7/c1-23-12-6-5-9-15(16(12)26-4)17(21)20-11-8-14(25-3)13(24-2)7-10(11)19(22)27-18(9)20/h5-8,18H,1-4H3
• InChIKey: GXXLUTZBNFEGKH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,14,15-tetramethoxy-9-oxa-1-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^6]heptadeca-2(7),3,5,11,13,15-hexaene-8,17-dione
• IUPAC传统名: 4,5,14,15-tetramethoxy-9-oxa-1-azatetracyclo[8.7.0.0^2,^7.0^1^1,^1^6]heptadeca-2(7),3,5,11,13,15-hexaene-8,17-dione

登记号

• PubChem SID: 164242212
• PubChem CID: 5125533

理论计算性质

• Acid pKa: 14.984887
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.007569
• LogD (pH = 7.4): 2.007569
• Log P: 2.007569
• 摩尔折射率: 93.9087 cm^3
• 极化性: 36.067 Å^3
• 极化表面积: 83.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds