기본 정보
- 표준 SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(N)c12- InChIKey
MHLSWVMYXGXNGJ-NHULRPGXSA-N- 분자식
- C13H18N4O4
- 평균 분자량
- 294.31 g/mol
이름 및 식별자
- 우선 이름
- (2R,3R,4R,5R)-2-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
- IUPAC
- (2R,3R,4R,5R)-2-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
이름 및 동의어
443642-53-3(2R,3R,4R,5R)-2-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol5-Methyl-7-(2-C-methyl-b-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineSCHEMBL474796CHEMBL475504MHLSWVMYXGXNGJ-NHULRPGXSA-N4-amino-5-methyl-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 5-methyl-7-(2-C-methyl-b-D-ribofuranosyl)-(2R,3R,4R,5R)-2-(4-amino-5-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
데이터베이스 식별자
- PubChem CID
- 3011900
- ChEMBL
CHEMBL475504
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 400
관련 반응
5건
화합물 노트
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