[(2R,3Ar,4R,6R,6Ar)-6-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-Hydroxy-2-Oxidotetrahydrofuro[3,4-D][1,3,2]Dioxaphosphol-4-Yl]Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C10H14N5O13P3
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-3h-purin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl phosphono hydrogen phosphate
Molecular Mass 505.165 g·mol−1
Heat of Formation -2902.3 ± 16.7 kJ·mol−1
Dipole Moment 12.66 ± 1.08 D
Volume 469.55 Å 3
Surface Area 402.65 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,4r,5r)-2-(2-amino-6-keto-3h-purin-9-yl)-7-hydroxy-7-keto-3,6,8-trioxa-7$l^{5}-phosphabicyclo[3.3.0]octan-4-yl]methyl phosphono hydrogen phosphate
  • gpx
  • guanosine 5'-diphosphate 2':3'-cyclic monophosphate
InChIKey NGYWTCOGOZELRS-UUOKFMHZSA-N
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