N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase编号: 218927
• 分子式: C23H25NO5
• 平均质量: 395.4483
• 单一同位素质量: 395.17327291
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)N[C@H](Cc1ccccc1)CO)C)C
• Canonical SMILES: OC[C@@H](Cc1ccccc1)NC(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C23H25NO5/c1-14-15(2)23(27)29-22-16(3)20(10-9-19(14)22)28-13-21(26)24-18(12-25)11-17-7-5-4-6-8-17/h4-10,18,25H,11-13H2,1-3H3,(H,24,26)/t18-/m1/s1
• InChIKey: YESGDJLIKSKBOR-GOSISDBHSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC传统名: N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-[(3,4,8-trimethyl-2-oxochromen-7-yl)oxy]acetamide

登记号

• PubChem SID: 164274837
• PubChem CID: 16408867

理论计算性质

• Acid pKa: 13.227679
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.111571
• LogD (pH = 7.4): 3.1115704
• Log P: 3.111571
• 摩尔折射率: 109.8257 cm^3
• 极化性: 42.455593 Å^3
• 极化表面积: 84.86 Å^2
• 可自由旋转的化学键: 7
• 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