2'-Chloro-2'-Deoxyinosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H12ClN4O7P
IUPAC Name [(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 366.652 g·mol−1
Heat of Formation -1287.2 ± 16.7 kJ·mol−1
Dipole Moment 10.57 ± 1.08 D
Volume 358.73 Å 3
Surface Area 311.72 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 2'-chloro-2'-deoxy-, homopolymer
  • [(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-4-chloro-3-hydroxy-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • poly(2'-chloro-2'-deoxyinosinic acid)
CAS Number(s)
  • 70368-43-3
InChIKey UQJKSGMKPSNLLF-QYYRPYCUSA-N
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Elements C Cl H O N P