[(1R,2R,3S,4R)-2,3-Dihydroxy-4-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Cyclopentyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H15N4O7P
IUPAC Name [(1r,2r,3s,4r)-2,3-dihydroxy-4-(6-oxo-3h-purin-9-yl)cyclopentyl]methyl dihydrogen phosphate
Molecular Mass 346.233 g·mol−1
Heat of Formation -1307.2 ± 16.7 kJ·mol−1
Dipole Moment 11.90 ± 1.08 D
Volume 360.49 Å 3
Surface Area 320.96 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 9-(2,3-dihydroxy-4-((phosphonoxy)methyl)cyclopentyl)-1,9-dihydro-, (1r-(1alpha,2beta,3beta,4alpha))-
  • [(1r,2r,3s,4r)-2,3-dihydroxy-4-(6-keto-3h-purin-9-yl)cyclopentyl]methyl dihydrogen phosphate
  • [(1r,2r,3s,4r)-2,3-dihydroxy-4-(6-oxo-3h-purin-9-yl)cyclopentyl]methyl dihydrogen phosphate
  • carbocyclic inosine monophosphate
  • cc-imp
CAS Number(s)
  • 97727-48-5
InChIKey JAVFUCJXWJDPGZ-GCXDCGAKSA-N
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