methyl3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutanecarboxylate

HCID 67774297

기본 정보

표준 SMILES
COC(=O)C1CC(N(C)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C1
InChIKey
BIRDVICBRQYVCG-DRHYSLRSSA-N
분자식
C20H28N6O5
평균 분자량
432.5 g/mol
단동위원소 질량
432.21211801

이름 및 식별자

우선 이름
methyl3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutanecarboxylate
IUPAC
methyl 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-methylamino]cyclobutane-1-carboxylate

이름 및 동의어

SCHEMBL9104850BIRDVICBRQYVCG-DRHYSLRSSA-Nmethyl 3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutanecarboxylatemethyl3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl tetrahydro furo[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutanecarboxylatemethyl3-((((3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutanecarboxylate

데이터베이스 식별자

PubChem CID
67774297

물성

구조 계산 물성

XLogP
0.2
극성 표면적
127 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
31

관련 반응

4건

화합물 노트

불러오는 중…