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1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-DIPHOSPHATE

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1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-DIPHOSPHATE
SpectraBase Compound ID E1rxf7s8JjB
InChI InChI=1S/C8H14N4O10P2/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(21-6)2-20-24(18,19)22-23(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H2,15,16,17)/p-3/t4-,5+,6+/m0/s1
InChIKey YZPLMHUQUZTVRW-KVQBGUIXSA-K
Mol Weight 385.14 g/mol
Molecular Formula C8H11N4O10P2
Exact Mass 384.995042 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuBzsrX9TQ1
Name 1-(2'-DEOXY-BETA-D-ERYTHRO-PENTOFURANOSYL)-(1H)-1,2,4-TRIAZOLE-3-CARBOXAMIDE-5'-DIPHOSPHATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N4O10P2
InChI InChI=1S/C8H14N4O10P2/c9-7(14)8-10-3-12(11-8)6-1-4(13)5(21-6)2-20-24(18,19)22-23(15,16)17/h3-6,13H,1-2H2,(H2,9,14)(H,18,19)(H2,15,16,17)/p-3/t4-,5+,6+/m0/s1
InChIKey YZPLMHUQUZTVRW-KVQBGUIXSA-K
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 UWLU23205