N-(3,4,5-trimethoxyphenyl)-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

• ChemBase编号: 218805
• 分子式: C26H29NO8
• 平均质量: 483.51036
• 单一同位素质量: 483.18931689
• SMILES: c12c(c(cc(=O)o2)C)c(cc2c1CCC(O2)(C)C)OCC(=O)Nc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1c(OC)cc(cc1OC)NC(=O)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
• InChI: InChI=1S/C26H29NO8/c1-14-9-22(29)34-24-16-7-8-26(2,3)35-17(16)12-18(23(14)24)33-13-21(28)27-15-10-19(30-4)25(32-6)20(11-15)31-5/h9-12H,7-8,13H2,1-6H3,(H,27,28)
• InChIKey: CZYMUTYYSABAJB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3,4,5-trimethoxyphenyl)-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide
• IUPAC传统名: N-(3,4,5-trimethoxyphenyl)-2-({4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

登记号

• PubChem SID: 164274715
• PubChem CID: 16408752

理论计算性质

• 摩尔折射率: 129.4761 cm^3
• 极化性: 49.384 Å^3
• 极化表面积: 101.55 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• Acid pKa: 12.473027
• 质子受体: 7
• 质子供体: 1
• LogD (pH = 5.5): 3.3882918
• LogD (pH = 7.4): 3.3882885
• Log P: 3.388292

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds