基本情報
- CAS
50704-46-6- 標準SMILES
CCOc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1- InChIKey
AQRYUWBBKDNOHV-XLPZGREQSA-N- 分子式
- C12H17N5O4
- 平均分子量
- 295.29 g/mol
概要
O(6)-ethyl-2'-deoxyguanosine is a purine 2'-deoxyribonucleoside having O6-ethylguanine as the nucleobase.
名称と識別子
- 優先名称
- O6-Ethyldeoxyguanosine
- IUPAC
- (2R,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- 英語名
- O(6)-ethyl-2'-deoxyguanosine
- 分子式
- C12H17N5O4
- 分子量
- 295.29
名称と別名
O(6)-Ethyl-2'-deoxyguanosine50704-46-6O(6)-Ethyldeoxyguanosineo6-ethyldeoxyguanosine2'-Deoxy-O(6)-ethylguanosineUG1B1H0FL4CHEBI:610139-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-ethoxy-9H-purin-2-amine9H-Purin-2-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-ethoxy-RefChem:928069o6-ethyl-2'-deoxyguanosineO6-Ethyl-deoxyguanosine
名称をさらに表示
O-EthyldeoxyguanosineGuanosine, 2'-deoxy-6-O-ethyl-N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-hydroxy-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
O6-Ethyl-2'-deoxyguanosine;NSC-240591NSC 240591O6 -ethyldeoxyguanosineEpitope ID:146098O6-Ethyl-2-deoxyguanosineUNII-UG1B1H0FL4SCHEMBL7512181
データベース識別子
- CAS
50704-46-6- PubChem CID
- 99549
- ChEBI
CHEBI:61013- UNII
- UG1B1H0FL4
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 129 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 363
物理化学的性質
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- Solid
- 色
- White to Off-White
化学と産業
応用分野
使用O6-Ethyl-2’-deoxyguanosine exists due to a mutation occurring in guanine. It is a genotoxic compound which has been identified as a carcinogenic compound.
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補足説明
定義ChEBI: A purine 2'-deoxyribonucleoside having O6-ethylguanine as the nucleobase.
関連反応
2 件
化合物ノート
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