基本情報
- CAS
80407-93-8- 標準SMILES
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3O)C(COP(=O)(O)OC3CC(n4cnc5c(N)ncnc54)OC3COP(=O)(O)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3CO)O2)c(=O)[nH]c1=O- InChIKey
OCJAANJGXLOQQA-UHFFFAOYSA-N- 分子式
- C78H99N30O46P7
- 平均分子量
- 2,409.6 g/mol
- 単同位体質量
- 2,408.4493048
名称と識別子
- 優先名称
- d(GGTATACC)
- IUPAC
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- 英語名
- d(GGTATACC)
- 分子式
- C78H99N30O46P7
- 分子量
- 2409.61
名称と別名
d(Ggtatacc)Deoxy(guanylyl-guanylyl-thymidylyl-adenylyl-thymidylyl-adenylyl-cytidylyl-cytidylic)acid80407-93-8RefChem:130471Guanosine, 2'-deoxycytidylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-2'-deoxy-Cytidine, 2'-deoxyguanylyl-(3'→5')-2'-deoxyguanylyl-(3'→5')-thymidylyl-(3'→5')-2'-deoxyadenylyl-(3'→5')-thymidylyl-(3'→5')-2'-deoxyadenylyl-(3'→5')-2'-deoxycytidylyl-(3'→5')-2'-deoxy-
データベース識別子
- CAS
80407-93-8- PubChem CID
- 129010962
物性
構造計算による物性
- XLogP
- -15.7
- 極性表面積
- 1,030 Ų
- 水素結合供与体数
- 19
- 水素結合受容体数
- 58
- 回転可能結合数
- 44
- 重原子数
- 161
- 形式電荷
- 0
- 複雑度
- 6,230
関連反応
0 件
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