基本情報
- CAS
80943-73-3- 標準SMILES
Cc1cn(C2CC(OP(=O)(O)OCC3OC(n4cc(C)c(=O)[nH]c4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)CC3OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)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(n4cnc5c(N)ncnc54)CC3OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(CO)O2)c(=O)[nH]c1=O- InChIKey
SGEMZHZXEBTLTI-GNKOTOBBSA-N- 分子式
- C99H125N36O58P9
- 平均分子量
- 3,026 g/mol
- 単同位体質量
- 3,024.557699
概要
self-complimentary nucleotide
名称と識別子
- 優先名称
- d(Aattgcaatt)
- IUPAC
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[hydroxy-[2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-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] [3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-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]methyl hydrogen phosphate
- 英語名
- d(AATTGCAATT)
- 分子式
- C99H125N36O58P9
- 分子量
- 3026.03
名称と別名
d(Aattgcaatt)d(5' HO-Aattgcaatt-OH 3')80943-73-3Adenosine, thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxy-RefChem:130467Adenosine, thymidylyl-(5'-3')-thymidylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxycytidylyl-(5'-3')-2'-deoxyguanylyl-(5'-3')-thymidylyl-(5'-3')-thymidynyl-(5'-3')-2'-deoxyadenylyl-(5'-3')-2'-deoxy-Adenosine, thymidylyl-(5′→3′)-thymidylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxycytidylyl-(5′→3′)-2′-deoxyguanylyl-(5′→3′)-thymidylyl-(5′→3′)-thymidylyl-(5′→3′)-2′-deoxyadenylyl-(5′→3′)-2′-deoxy-
データベース識別子
- CAS
80943-73-3
物性
構造計算による物性
- XLogP
- -17.4
- 極性表面積
- 1,250 Ų
- 水素結合供与体数
- 22
- 水素結合受容体数
- 76
- 回転可能結合数
- 56
- 重原子数
- 202
- 形式電荷
- 0
- 複雑度
- 7,930
物理化学的性質
- 比重(密度)
- 2.23 · 2.23±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
関連反応
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