6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.02,15.03,12.05,10]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione

• ChemBase编号: 217714
• 分子式: C26H30N2O4
• 平均质量: 434.5274
• 单一同位素质量: 434.22055745
• SMILES: C12(C3N(c4nc5c(cc4C2)cccc5)C2CC3(CC(C2)(C)C)C)C(=O)OC(OC1=O)(C)C
• Canonical SMILES: O=C1OC(C)(C)OC(=O)C21Cc1cc3ccccc3nc1N1C2C2(C)CC1CC(C2)(C)C
• InChI: InChI=1S/C26H30N2O4/c1-23(2)12-17-13-25(5,14-23)20-26(21(29)31-24(3,4)32-22(26)30)11-16-10-15-8-6-7-9-18(15)27-19(16)28(17)20/h6-10,17,20H,11-14H2,1-5H3
• InChIKey: IKIDGXCEPIMKPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione
• IUPAC传统名: 6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione

登记号

• PubChem SID: 164273624
• PubChem CID: 16407711

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.1870975
• LogD (pH = 7.4): 5.419183
• Log P: 5.4231534
• 摩尔折射率: 119.4241 cm^3
• 极化性: 47.991505 Å^3
• 极化表面积: 68.73 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds