Einecs 301-747-8
기본 정보
- CAS
94042-81-6- 표준 SMILES
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(CO)O2)c(=O)[nH]c1=O- InChIKey
TVYQBYJHITYFLF-UHFFFAOYSA-N- 분자식
- C77H98N31O46P7
- 평균 분자량
- 2,410.6 g/mol
- 단동위원소 질량
- 2,409.4445537
이름 및 식별자
- 우선 이름
- Einecs 301-747-8
- IUPAC
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
이름 및 동의어
EINECS 301-747-894042-81-6Thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenosine
데이터베이스 식별자
- CAS
94042-81-6- PubChem CID
- 56841337
- EC Number
- 301-747-8
물성
구조 계산 물성
- XLogP
- -17.2
- 극성 표면적
- 1,060 Ų
- 수소 결합 공여자 수
- 20
- 수소 결합 수용자 수
- 56
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 161
- 형식 전하
- 0
- 복잡도
- 6,360
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