기본 정보
- CAS
127067-28-1- 표준 SMILES
Nc1ccn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](COP(=O)(O)O)O2)c(=O)n1- InChIKey
UUBWXCHLJHRYJT-LNAOLWRRSA-N- 분자식
- C19H26N8O13P2
- 평균 분자량
- 636.4 g/mol
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 5'-Phospho-2'-deoxyribocytidylylriboadenosine
- IUPAC
- [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- 현지명
- 5'-포스포-2'-데옥시리보시티딜릴리보아데노신
- 영어명
- 5'-phospho-2'-deoxyribocytidylylriboadenosine
- 분자식
- C19H26N8O13P2
- 분자량
- 636.41
이름 및 동의어
pdCpA127067-28-15'-Phospho-2'-deoxyribocytidylylriboadenosineRefChem:100864[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphateSCHEMBL15083207SCHEMBL29528971UUBWXCHLJHRYJT-LNAOLWRRSA-N((2R,3S,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)tetrahydrofuran-2-yl)methyl dihydrogen phosphate((2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)tetrahydrofuran-2-yl)methyl dihydrogenphosphate5'-포스포-2'-데옥시리보시티딜릴리보아데노신5'-O-phosphoryl-2'-deoxycytidylyl-(3'->5')adenosine
이름 더 보기
Adenosine, 2'-deoxy-5'-O-phosphonocytidylyl-(3'→5')-
데이터베이스 식별자
- CAS
127067-28-1- PubChem CID
- 195511
- Nikkaji
- J2.783.219I
물성
구조 계산 물성
- XLogP
- -5.8
- 극성 표면적
- 310 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,180
물리화학적 성질
- 끓는 점
- 1024.7 · 1024.7±75.0 °C(Predicted)
- 밀도
- 2.26 · 2.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.37 · 1.37±0.50(Predicted)
화학 및 산업
공급사1 곳
青岛必成医药科技有限公司0532-010-15306422508 15306422508 · [email protected]
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