기본 정보
- CAS
93904-63-3- 표준 SMILES
Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O- InChIKey
OEAHWCVBHSKRSJ-IAJBLDMISA-N- 분자식
- C117H148N45O70P11
- 평균 분자량
- 3,645.4 g/mol
- 단동위원소 질량
- 3,643.6518402
이름 및 식별자
- 우선 이름
- Einecs 299-802-3
- IUPAC
- [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3R,5R)-3-[hydroxy-[[(2R,3R,5R)-3-[hydroxy-[[(2R,3R,5R)-3-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
이름 및 동의어
EINECS 299-802-393904-63-3Guanosine, 2'-deoxyadenylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-thymidylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyguanylyl-(3'.5')-2'-deoxyadenylyl-(3'.5')-thymidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxycytidylyl-(3'.5')-2'-deoxy-
데이터베이스 식별자
- CAS
93904-63-3- PubChem CID
- 102269263
- EC Number
- 299-802-3
물성
구조 계산 물성
- XLogP
- -18.2
- 극성 표면적
- 1,570 Ų
- 수소 결합 공여자 수
- 34
- 수소 결합 수용자 수
- 91
- 회전 가능 결합 수
- 68
- 무거운 원자 수
- 243
- 형식 전하
- 0
- 복잡도
- 10,200
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