1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
基本情報
- 標準SMILES
Cc1cn(C2OC(CO)C(O)C2O)c(=S)[nH]c1=O- InChIKey
SNNBPMAXGYBMHM-UHFFFAOYSA-N- 分子式
- C10H14N2O5S
- 平均分子量
- 274.3 g/mol
概要
1-((2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is a pyrimidine nucleoside.
名称と識別子
- 優先名称
- 1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
名称と別名
5-methyl-2-thiouri-dineSCHEMBL40665CHEBI:1826831-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-oneZINC000269801-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-onePD214695ST056935DB-048255NS000552791-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulanylidenepyrimidin-4-one1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-thioxo-1,3-dihydropy rimidin-4-one
データベース識別子
- PubChem CID
- 3035361
- ChEBI
CHEBI:182683
物性
構造計算による物性
- XLogP
- -1
- 極性表面積
- 134 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 2
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 413
関連反応
2 件
化合物ノート
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