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1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-TRIPHOSPHATE
SpectraBase Compound ID 7yhv0kbETrY
InChI InChI=1S/C8H15N4O13P3/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H,20,21)(H2,15,16,17)/p-4/t4-,5+,6+/m0/s1
InChIKey FKUHJIXCXJPSTE-KVQBGUIXSA-J
Mol Weight 464.11 g/mol
Molecular Formula C8H11N4O13P3
Exact Mass 463.953547 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBlsUusTTI4
Name 1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-TRIPHOSPHATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N4O13P3
InChI InChI=1S/C8H15N4O13P3/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H,20,21)(H2,15,16,17)/p-4/t4-,5+,6+/m0/s1
InChIKey FKUHJIXCXJPSTE-KVQBGUIXSA-J
Literature Reference Author W.WU,D.E.BREGSTROM,V.J.DAVISSON
Literature Reference Citation J.ORG.CHEM.,68,3860(2003)
Literature Reference DOI 10.1021/jo020745i
Solvent D2O
Source File Reference UWLU23208