2-Chloroinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H12ClN4O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 382.651 g·mol−1
Heat of Formation -1465.8 ± 16.7 kJ·mol−1
Dipole Moment 11.30 ± 1.08 D
Volume 371.39 Å 3
Surface Area 323.86 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloroinosine monophosphate
  • 2-cimp
  • 5'-inosinic acid, 2-chloro-
  • [(2r,3s,4r,5r)-5-(2-chloro-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-chloro-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CAS Number(s)
  • 26550-86-7
InChIKey PDEHTPJGNSQPMN-UUOKFMHZSA-N
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Elements C Cl H O N P