Chem
J-GLOBAL ID：200907011489965811
Nikkaji number：J778.802I
N-MCdT
3′-exo-メタノカルバチミジン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C12H16N2O4
Molecular formula furigana： C12-H16-N2-O4
Molecular weight： 252.270
InChI：
InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1
InChI key：
NOWRLNPOENZFHP-ARHDFHRDSA-N
SMILES：
Cc1cn([C@H]2C[C@H](O)[C@]3(CO)C[C@H]23)c(=O)[nH]c1=O
Systematic name (11)：
- 1-[(1R,2S,4S,5S)-1-(ヒドロキシメチル)-2-ヒドロキシビシクロ[3.1.0]ヘキサン-4-イル]-5-メチルピリミジン-2,4(1H,3H)-ジオン
- (5α)-2β-ヒドロキシ-4α-[(2,4-ジオキソ-5-メチル-1,2,3,4-テトラヒドロピリミジン)-1-イル]ビシクロ[3.1.0]ヘキサン-1α-メタノール
- 1-[(1S,5R)-4α-ヒドロキシ-5β-(ヒドロキシメチル)ビシクロ[3.1.0]ヘキサン-2β-イル]チミン
- (1R,2S,4S,5S)-1-(ヒドロキシメチル)-4-(チミン-1-イル)ビシクロ[3.1.0]ヘキサン-2-オール
- 1-[(1S,2S,4S,5R)-4-ヒドロキシ-5-(ヒドロキシメチル)ビシクロ[3.1.0]ヘキサン-2-イル]チミン
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- (5α)-2β-Hydroxy-4α-[(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin)-1-yl]bicyclo[3.1.0]hexane-1α-methanol
- 1-[(1S,5R)-4α-Hydroxy-5β-(hydroxymethyl)bicyclo[3.1.0]hexane-2β-yl]thymine
- (1R,2S,4S,5S)-1-(Hydroxymethyl)-4-(thymine-1-yl)bicyclo[3.1.0]hexane-2-ol
- 1-[(1S,2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hexane-2-yl]thymine
- 3′-exo-メタノカルバチミジン
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