기본 정보
- 표준 SMILES
NC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1- InChIKey
NQRSQXXWXGXYDU-HTVVRFAVSA-N- 분자식
- C14H16N8O5
- 평균 분자량
- 376.33 g/mol
이름 및 식별자
- 우선 이름
- 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide
- IUPAC
- 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide
이름 및 동의어
CHEMBL101383313348-35-51-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl }pyrazole-4-carboxamideSCHEMBL272512NQRSQXXWXGXYDU-HTVVRFAVSA-N1-{9-[(4s,2r,3r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazole-4-carboxamideBDBM50119138
데이터베이스 식별자
- PubChem CID
- 9864445
- ChEMBL
CHEMBL101383
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 572
관련 반응
13건
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