9'-methoxy-1,5-dimethyl-7'-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2',5',7',8'-tetrahydrospiro[1,5-diazinane-3,6'-naphtho[2,3-d][1,3]dioxole]-2,4,6-trione

• ChemBase编号: 215491
• 分子式: C24H26N4O9
• 平均质量: 514.48464
• 单一同位素质量: 514.16997843
• SMILES: C12(C(=O)N(C(=O)N(C1=O)C)C)C(C1(C(=O)N(C(=O)N(C1=O)C)C)C)Cc1c(C2)cc2c(c1OC)OCO2
• Canonical SMILES: COc1c2CC(C3(Cc2cc2c1OCO2)C(=O)N(C)C(=O)N(C3=O)C)C1(C)C(=O)N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C24H26N4O9/c1-23(17(29)25(2)21(33)26(3)18(23)30)14-8-12-11(7-13-16(15(12)35-6)37-10-36-13)9-24(14)19(31)27(4)22(34)28(5)20(24)32/h7,14H,8-10H2,1-6H3
• InChIKey: RVCOYZIKZMYIFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9'-methoxy-1,5-dimethyl-7'-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2',5',7',8'-tetrahydrospiro[1,5-diazinane-3,6'-naphtho[2,3-d][1,3]dioxole]-2,4,6-trione
• IUPAC传统名: 9'-methoxy-1,5-dimethyl-7'-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2',5',7',8'-tetrahydrospiro[1,5-diazinane-3,6'-naphtho[2,3-d][1,3]dioxole]-2,4,6-trione

登记号

• PubChem SID: 164271401
• PubChem CID: 16406072

理论计算性质

• 质子受体: 9
• 质子供体: 0
• LogD (pH = 5.5): 0.57840544
• LogD (pH = 7.4): 0.57840544
• Log P: 0.57840544
• 摩尔折射率: 123.3969 cm^3
• 极化性: 47.869354 Å^3
• 极化表面积: 143.07 Å^2
• 可自由旋转的化学键: 2
• 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