3'-(4-(2-Chloroethyl)methylaminophenyl)methyleneoligonucleotide
기본 정보
- CAS
103761-47-3- 표준 SMILES
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=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(N)ncnc54)C4OC(c5ccc(N(C)CCCl)cc5)OC34)C(COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)O)O2)c(=O)[nH]c1=O- InChIKey
NARRYQQZSMCTNI-UHFFFAOYSA-N- 분자식
- C123H159ClN38O75P12
- 평균 분자량
- 3,776.9 g/mol
- 단동위원소 질량
- 3,774.6335853
이름 및 식별자
- 우선 이름
- 3'-(4-(2-Chloroethyl)methylaminophenyl)methyleneoligonucleotide
- IUPAC
- [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[4-(6-aminopurin-9-yl)-2-[4-[2-chloroethyl(methyl)amino]phenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
이름 및 동의어
3'-(4-(2-Chloroethyl)methylaminophenyl)methyleneoligonucleotide3'-(4-(2-Chloroethyl)methylaminophenyl)methylene-oligonucleotide103761-47-35'-Adenylic acid, 2',3'-O-((4-((2-chloroethyl)methylamino)phenyl)methylene)adenylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxy-
데이터베이스 식별자
- CAS
103761-47-3- PubChem CID
- 157010440
물성
구조 계산 물성
- XLogP
- -22.9
- 극성 표면적
- 1,510 Ų
- 수소 결합 공여자 수
- 25
- 수소 결합 수용자 수
- 84
- 회전 가능 결합 수
- 74
- 무거운 원자 수
- 249
- 형식 전하
- 0
- 복잡도
- 10,600
관련 반응
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