Chem
J-GLOBAL ID：200907045242675065   Nikkaji number：J1.935.414H

Diphosphoric acid α-(5′-thymidyl)β-[3-(acetylamino)-3,6-dideoxy-α-D-galactopyranosyl] ester

チミジン5′-二りん酸P2-[3-(アセチルアミノ)-3,6-ジデオキシ-α-D-ガラクトピラノシル]
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： C18H29N3O15P2
Molecular formula furigana： C18-H29-N3-O15-P2
Molecular weight： 589.384
InChI： InChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)13(19-9(3)22)14(24)8(2)33-17/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1
InChI key： CWQDRZJUANNJKC-HYPDDMKDSA-N
SMILES： C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@@H](NC(=O)C)[C@H]1O
Systematic name  (5)：
  • チミジン5′-二りん酸P2-[3-(アセチルアミノ)-3,6-ジデオキシ-α-D-ガラクトピラノシル]
  • 二りん酸α-(5′-チミジル)β-[3-(アセチルアミノ)-3,6-ジデオキシ-α-D-ガラクトピラノシル]
  • チミジン5′-二りん酸β-[(2R)-3α,5β-ジヒドロキシ-4β-(アセチルアミノ)-6β-メチルテトラヒドロ-2H-ピラン-2α-イル]
  • [({[(2R,3R,4S,5R,6R)-4-アセトアミド-3,5-ジヒドロキシ-6-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,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-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 (3)：
  • Thymidine 5′-diphosphoric acid P2-[3-(acetylamino)-3,6-dideoxy-α-D-galactopyranosyl] ester
  • Diphosphoric acid α-(5′-thymidyl)β-[3-(acetylamino)-3,6-dideoxy-α-D-galactopyranosyl] ester
  • Thymidine 5′-diphosphoric acid β-[(2R)-3α,5β-dihydroxy-4β-(acetylamino)-6β-methyltetrahydro-2H-pyran-2α-yl] ester
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