ethyl 2-amino-10'-methoxy-5',5',7,7'-tetramethyl-3',5-dioxo-5H-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.04,12]dodecane]-1'(12'),6',8',10'-tetraene-3-carboxylate

• ChemBase编号: 200976
• 分子式: C26H26N2O7
• 平均质量: 478.49384
• 单一同位素质量: 478.17400118
• SMILES: C12(c3c(OC(=C1C(=O)OCC)N)cc(oc3=O)C)C(=O)N1c3c2cc(cc3C(=CC1(C)C)C)OC
• Canonical SMILES: CCOC(=O)C1=C(N)Oc2c(C31C(=O)N1c4c3cc(OC)cc4C(=CC1(C)C)C)c(=O)oc(c2)C
• InChI: InChI=1S/C26H26N2O7/c1-7-33-22(29)19-21(27)35-17-8-13(3)34-23(30)18(17)26(19)16-10-14(32-6)9-15-12(2)11-25(4,5)28(20(15)16)24(26)31/h8-11H,7,27H2,1-6H3
• InChIKey: PAPQYVXYBWOOPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-amino-10'-methoxy-5',5',7,7'-tetramethyl-3',5-dioxo-5H-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.0^4,^1^2]dodecane]-1'(12'),6',8',10'-tetraene-3-carboxylate
• IUPAC传统名: ethyl 2-amino-10'-methoxy-5',5',7,7'-tetramethyl-3',5-dioxo-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.0^4,^1^2]dodecane]-1'(12'),6',8',10'-tetraene-3-carboxylate

登记号

• PubChem SID: 164256886
• PubChem CID: 2957274

理论计算性质

• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 2.2896101
• LogD (pH = 7.4): 2.2901602
• Log P: 2.290167
• 摩尔折射率: 139.1771 cm^3
• 极化性: 48.632965 Å^3
• 极化表面积: 117.39 Å^2
• 可自由旋转的化学键: 4
• 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