9-[(4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-1,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12N4O7P
IUPAC Name 9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 331.199 g·mol−1
Heat of Formation -1135.4 ± 16.7 kJ·mol−1
Dipole Moment 8.47 ± 1.08 D
Volume 323.23 Å 3
Surface Area 285.74 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3',5'-cyclic imp
  • 9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3h-purin-6-one
  • 9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-3h-purin-6-one
  • cyclic imp
  • inosine 3',5'-cyclic monophosphate
  • inosine cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 3545-76-4
InChIKey DMJWGQPYNRPLGA-KQYNXXCUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N