Chem
J-GLOBAL ID:200907051646813755   Nikkaji number:J1.203.725B

4-Oxo-1-O-[3′-O-(dihydroxyphosphinyl)-5′-thymidylyl]-4,6-dideoxy-α-D-glucopyranose

4-オキソ-1-O-[3′-O-(ジヒドロキシホスフィニル)-5′-チミジリル]-4,6-ジデオキシ-α-D-グルコピラノース
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: C16H24N2O15P2
Molecular formula furigana: C16-H24-N2-O15-P2
Molecular weight: 546.315
InChI: InChI=1S/C16H24N2O15P2/c1-6-4-18(16(23)17-14(6)22)10-3-8(32-34(24,25)26)9(31-10)5-29-35(27,28)33-15-13(21)12(20)11(19)7(2)30-15/h4,7-10,12-13,15,20-21H,3,5H2,1-2H3,(H,27,28)(H,17,22,23)(H2,24,25,26)/t7-,8+,9-,10-,12+,13-,15-/m1/s1
InChI key: SYPAHFHVJKLDMY-UCBTUHGZSA-N
SMILES: C[C@H]1O[C@H](OP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2OP(=O)(O)O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](O)C1=O
Systematic name  (3):
  • 4-オキソ-1-O-[3′-O-(ジヒドロキシホスフィニル)-5′-チミジリル]-4,6-ジデオキシ-α-D-グルコピラノース
  • {[(2R,3S,5R)-2-{[({[(2R,3R,4R,6R)-3,4-ジヒドロキシ-6-メチル-5-オキソオキサン-2-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]メチル}-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-3-イル]オキシ}ホスホン酸
  • {[(2R,3S,5R)-2-{[({[(2R,3R,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-3-yl]oxy}phosphonic acid
Other name (1):
  • 4-Oxo-1-O-[3′-O-(dihydroxyphosphinyl)-5′-thymidylyl]-4,6-dideoxy-α-D-glucopyranose
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