N-[(1E)-3-Amino-1,2-Diformamido-3-Oxo-1-Propen-1-Yl]-5-O-Phosphono-β-D-Ribofuranosylamine

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Properties Simple | Detailed

Formula C10H17N4O10P
IUPAC Name [(2r,3s,4r,5r)-5-[[(e)-3-amino-1,2-diformamido-3-oxo-prop-1-enyl]amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 384.237 g·mol−1
Heat of Formation -2033.6 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 394.54 Å 3
Surface Area 329.48 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenamide, 2,3-bis(formylamino)-3-((5-o-phosphono-beta-d-ribofuranosyl)amino)-, (e)-
  • [(2r,3s,4r,5r)-5-[[(e)-3-amino-1,2-diformamido-3-keto-prop-1-enyl]amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[[(e)-3-amino-1,2-diformamido-3-oxo-prop-1-enyl]amino]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[[(e)-3-amino-1,2-diformamido-3-oxo-prop-1-enyl]amino]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[[(e)-3-amino-1,2-diformamido-3-oxoprop-1-enyl]amino]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • alpha,beta-diformamido-beta-(5'-phosphoribosylamino)acrylamide
  • trans-alpha,beta-diformamido-beta-(5'-phosphoribosylamino)acrylamide
CAS Number(s)
  • 71092-94-9
InChIKey YDOQAQXGJDSQKU-PRJAOZDYSA-N
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