Chem
J-GLOBAL ID：201107072020154267   Nikkaji number：J2.930.256A

Thymidine 5′-diphosphoric acid β-[(2R)-3α,5β-dihydroxy-4β-amino-6β-methyltetrahydro-2H-pyran-2α-yl] ester

チミジン5′-二りん酸β-[(2R)-3α,5β-ジヒドロキシ-4β-アミノ-6β-メチルテトラヒドロ-2H-ピラン-2α-イル]
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： C16H27N3O14P2
Molecular formula furigana： C16-H27-N3-O14-P2
Molecular weight： 547.347
InChI： InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1
InChI key： KVYJLJOGNUNRJK-FQLHZTMTSA-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](N)[C@H]1O
Systematic name  (3)：
  • チミジン5′-二りん酸β-[(2R)-3α,5β-ジヒドロキシ-4β-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-アミノ-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-amino-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 (1)：
  • Thymidine 5′-diphosphoric acid β-[(2R)-3α,5β-dihydroxy-4β-amino-6β-methyltetrahydro-2H-pyran-2α-yl] ester
Thsaurus map：
Thesaurus Map

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