Chem
J-GLOBAL ID：200907003118175262   Nikkaji number：J1.833.120I

3′-Mercapto-3′-deoxythymidine 5′-phosphoric acid

3′-メルカプト-3′-デオキシチミジン5′-りん酸
Substance type：
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
Molecular formula： C10H15N2O7PS
Molecular formula furigana： C10-H15-N2-O7-P-S
Molecular weight： 338.270
InChI： InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1
InChI key： BORVFKJZAOEGOO-GJMOJQLCSA-N
SMILES： Cc1cn([C@H]2C[C@H](S)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
Systematic name  (3)：
  • 3′-メルカプト-3′-デオキシチミジン5′-りん酸
  • {[(2R,3S,5R)-5-(5-メチル-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3-スルファニルオキソラン-2-イル]メトキシ}ホスホン酸
  • {[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxy}phosphonic acid
Other name (1)：
  • 3′-Mercapto-3′-deoxythymidine 5′-phosphoric acid
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