[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3S,4R,6R)-3,4-Dihydroxy-6-Methyl-5-Oxotetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H23N5O15P2
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-λ1-azanyl-6-oxo-purine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2r,3s,4r,6r)-6-methyl-3,4-dioxido-5-oxo-tetrahydropyran-2,4,6-triid-2-yl] phosphate
Molecular Mass 587.326 g·mol−1
Heat of Formation -3025.4 ± 16.7 kJ·mol−1
Dipole Moment 13.96 ± 1.08 D
Volume 580.02 Å 3
Surface Area 435.45 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,6r)-3,4-dihydroxy-5-keto-6-methyl-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,6r)-3,4-dihydroxy-6-methyl-5-oxo-2-tetrahydropyranyl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,6r)-3,4-dihydroxy-6-methyl-5-oxo-oxan-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,6r)-3,4-dihydroxy-6-methyl-5-oxo-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s,4r,6r)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • gdp-4-dehydro-6-deoxy-alpha-d-mannose
  • gdp-4-dehydro-d-rhamnose
  • guanosine 5'-(trihydrogen diphosphate), p'-(6-deoxy-alpha-d-lyxo-hexopyranos-4-ulos-1-yl) ester
  • guanosine 5'-[3-(6-deoxy-alpha-d-lyxo-hexopyranosyl-4-ulose) dihydrogen diphosphate]
  • guanosine diphosphate-4-keto-6-deoxy-d-mannose
CAS Number(s)
  • 18186-48-6
InChIKey PNHLMHWWFOPQLK-BKUUWRAGSA-N
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