1,5,19',21',21'-pentamethyl-8',10'-dioxa-2',4'-diazaspiro[1,5-diazinane-3,17'-hexacyclo[17.3.1.02,18.03,15.05,13.07,11]tricosane]-3'(15'),4',6',11',13'-pentaene-2,4,6-trione

• ChemBase编号: 218868
• 分子式: C27H30N4O5
• 平均质量: 490.5509
• 单一同位素质量: 490.22162008
• SMILES: C12(C(=O)N(C(=O)N(C1=O)C)C)C1N(c3nc4c(cc3C2)cc2c(c4)OCO2)C2CC1(CC(C2)(C)C)C
• Canonical SMILES: O=C1N(C)C(=O)C2(C(=O)N1C)Cc1cc3cc4OCOc4cc3nc1N1C2C2(C)CC1CC(C2)(C)C
• InChI: InChI=1S/C27H30N4O5/c1-25(2)10-16-11-26(3,12-25)21-27(22(32)29(4)24(34)30(5)23(27)33)9-15-6-14-7-18-19(36-13-35-18)8-17(14)28-20(15)31(16)21/h6-8,16,21H,9-13H2,1-5H3
• InChIKey: SGCBAMJSWCCIHN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,5,19',21',21'-pentamethyl-8',10'-dioxa-2',4'-diazaspiro[1,5-diazinane-3,17'-hexacyclo[17.3.1.0^2,^1^8.0^3,^1^5.0^5,^1^3.0^7,^1^1]tricosane]-3'(15'),4',6',11',13'-pentaene-2,4,6-trione
• IUPAC传统名: 1,5,19',21',21'-pentamethyl-8',10'-dioxa-2',4'-diazaspiro[1,5-diazinane-3,17'-hexacyclo[17.3.1.0^2,^1^8.0^3,^1^5.0^5,^1^3.0^7,^1^1]tricosane]-3'(15'),4',6',11',13'-pentaene-2,4,6-trione

登记号

• PubChem SID: 164274778
• PubChem CID: 16408812

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 3.3164792
• LogD (pH = 7.4): 3.8325686
• Log P: 3.8458536
• 摩尔折射率: 129.7286 cm^3
• 极化性: 51.439007 Å^3
• 极化表面积: 92.28 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: Derivatives & analogs of Natural Compounds