2',3'-O-(Phosphonomethylene)Guanosine

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Properties Simple | Detailed

Formula C11H14N5O8P
IUPAC Name [(2s,3ar,4r,6r,6ar)-4-(2-amino-6-oxo-3h-purin-9-yl)-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
Molecular Mass 375.231 g·mol−1
Heat of Formation 111.5 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 344.53 Å 3
Surface Area 319.67 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -4.74 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4r,6r,6as)-4-(2-amino-6-oxo-1,6-dihydropurin-9-yl)-6-(hydroxymethyl)-tetrahydrofuro[3,4-d][1,3]dioxol-2-ylphosphonic acid
  • [(2s,3ar,4r,6r,6ar)-6-(2-amino-6-keto-3h-purin-9-yl)-4-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-yl]phosphonic acid
  • guanosine-2',3'-o-methylidenephosphonate
  • p2g
InChIKey GKAPYWCOOQBBHV-KXSYMAMXSA-N
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