Chem
J-GLOBAL ID：200907017545254948   Nikkaji number：J882.662E

Thymidine 5′-[diphosphoric acid P2-(3-oxo-2,3,6-trideoxy-α-D-erythro-hexopyranosyl)] ester

チミジン5′-[二りん酸P2-(3-オキソ-2,3,6-トリデオキシ-α-D-erythro-ヘキソピラノシル)]
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： C16H24N2O14P2
Molecular formula furigana： C16-H24-N2-O14-P2
Molecular weight： 530.316
InChI： InChI=1S/C16H24N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-14,19,21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13-,14-/m1/s1
InChI key： CZNNQWMLAHSKRA-RRLVPJIRSA-N
SMILES： C[C@H]1O[C@@H](CC(=O)[C@@H]1O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Systematic name  (3)：
  • チミジン5′-[二りん酸P2-(3-オキソ-2,3,6-トリデオキシ-α-D-erythro-ヘキソピラノシル)]
  • {[ヒドロキシ({[(2R,5R,6R)-5-ヒドロキシ-6-メチル-4-オキソオキサン-2-イル]オキシ})ホスホリル]オキシ}({[(2R,3S,5R)-3-ヒドロキシ-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)オキソラン-2-イル]メトキシ})ホスフィン酸
  • {[hydroxy({[(2R,5R,6R)-5-hydroxy-6-methyl-4-oxooxan-2-yl]oxy})phosphoryl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • Thymidine 5′-[diphosphoric acid P2-(3-oxo-2,3,6-trideoxy-α-D-erythro-hexopyranosyl)] ester
KEGG COMPOUND： C18029
Thsaurus map：
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