Chem
J-GLOBAL ID：201007028532750396   Nikkaji number：J2.777.756B

Thymidine 5′-diphosphoric acid β-(6-deoxy-α-D-allopyranosyl) ester

チミジン5′-二りん酸β-(6-デオキシ-α-D-アロピラノシル)
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： C16H26N2O15P2
Molecular formula furigana： C16-H26-N2-O15-P2
Molecular weight： 548.331
InChI： InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11-,12-,13-,15-/m1/s1
InChI key： ZOSQFDVXNQFKBY-BVSJMFFESA-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](O)[C@@H]1O
Systematic name  (3)：
  • チミジン5′-二りん酸β-(6-デオキシ-α-D-アロピラノシル)
  • {[ヒドロキシ({[(2R,3R,4R,5S,6R)-3,4,5-トリヒドロキシ-6-メチルオキサン-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,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-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 β-(6-deoxy-α-D-allopyranosyl) ester
KEGG COMPOUND： C11912
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