[(E)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]vinyl]phosphonic acid
기본 정보
- CAS
59652-80-1- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/P(=O)(O)O)[C@@H](O)[C@H]1O- InChIKey
ZKSYOODTXWEONP-AFDMUZHHSA-N- 분자식
- C11H14N5O6P
- 평균 분자량
- 343.23 g/mol
- 단동위원소 질량
- 343.06817018
이름 및 식별자
- 우선 이름
- [(E)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]vinyl]phosphonic acid
- IUPAC
- [(E)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethenyl]phosphonic acid
이름 및 동의어
V3G8EZD4P5SCHEMBL3313598CHEMBL3349450ZKSYOODTXWEONP-AFDMUZHHSA-NAdenosine-5'-(E)-Vinylphosphonate (AEVP)9-[(5E)-5,6-Dideoxy-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-9H-purin-6-amine9H-Purin-6-amine, 9-(5,6-dideoxy-6-phosphono-beta-D-ribo-hex-5-enofuranosyl)-, (E)-9H-Purin-6-amine, 9-[(5E)-5,6-dideoxy-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-(E)-2-((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)vinylphosphonic acid[(E)-2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]vinyl]phosphonic acid59652-80-1
데이터베이스 식별자
- CAS
59652-80-1- PubChem CID
- 49773713
- ChEMBL
CHEMBL3349450- UNII
- V3G8EZD4P5
물성
구조 계산 물성
- XLogP
- -2.6
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 517
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