Chem
J-GLOBAL ID：200907089023048338   Nikkaji number：J2.287.506J

Diphosphoric acid α-(2,6-dideoxy-3-C-methyl-β-L-ribo-hexopyranosyl)β-(5′-thymidyl) ester

二りん酸α-(2,6-ジデオキシ-3-C-メチル-β-L-ribo-ヘキソピラノシル)β-(5′-チミジル)
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： C17H28N2O14P2
Molecular formula furigana： C17-H28-N2-O14-P2
Molecular weight： 546.359
InChI： InChI=1S/C17H28N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-14,20-21,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13+,14-,17+/m0/s1
InChI key： WILFWCJMOXHLEQ-ORWDRJNOSA-N
SMILES： C[C@@H]1O[C@@H](C[C@@](C)(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)：
  • 二りん酸α-(2,6-ジデオキシ-3-C-メチル-β-L-ribo-ヘキソピラノシル)β-(5′-チミジル)
  • [({[(2R,4R,5S,6S)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}(ヒドロキシ)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
  • [({[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}(hydroxy)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)：
  • Diphosphoric acid α-(2,6-dideoxy-3-C-methyl-β-L-ribo-hexopyranosyl)β-(5′-thymidyl) ester
KEGG COMPOUND： C11916
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