(2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)

• ChemBase编号: 181749
• 分子式: C20H32N2O4
• 平均质量: 364.47908
• 单一同位素质量: 364.23620751
• SMILES: C12(C(N(C(CC1=O)(C)C)[O])(C)C)OC1=C(C(N(C(C1)(C)C)[O])(C)C)CC2
• Canonical SMILES: [O]N1C(C)(C)CC2=C(C1(C)C)CCC1(O2)C(=O)CC(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C20H32N2O4/c1-16(2)11-14-13(18(5,6)21(16)24)9-10-20(26-14)15(23)12-17(3,4)22(25)19(20,7)8/h9-12H2,1-8H3
• InChIKey: QDAFKIPHFUVRPG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)
• IUPAC传统名: (2,2,5',5',6,6,7',7'-octamethyl-4-oxo-3',4',7',8'-tetrahydro-1H-spiro[piperidine-3,2'-pyrano[3,2-c]pyridine]-1,6'(5'H)-diyl)bis(oxidanyl)

登记号

• PubChem SID: 164237659
• PubChem CID: 16395271

理论计算性质

• Acid pKa: 17.73379
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.7434928
• LogD (pH = 7.4): 1.7434928
• Log P: 1.7434928
• 摩尔折射率: 99.4275 cm^3
• 极化性: 39.35683 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 0
• 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