ethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate (HCID 67775331)

基本信息

标准SMILES: CCOC(=O)CCC1CC(N(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C(C)C)C1
InChIKey: CDQHSADZFIYIBR-MKZZAHTDSA-N
分子式: C25H38N6O5
平均分子量: 502.6 g/mol

名称与标识

首选名称: ethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate
IUPAC: ethyl 3-[3-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]cyclobutyl]propanoate

名称与别名

SCHEMBL9106910SCHEMBL9106917SCHEMBL9913520SCHEMBL30277435CDQHSADZFIYIBR-MKZZAHTDSA-Nethyl 3-(3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(isopropyl)amino)cyclobutyl)propanoate

数据库标识

PubChem CID: 67775331

性质

结构计算性质

XLogP: 2
极性表面积: 127 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 10
重原子: 36
形式电荷: 0
复杂度: 780

化合物笔记

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