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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13N5O7P
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]-6-amino-1h-purine-3,7-diium-6-id-2-one
Molecular Mass 346.213 g·mol−1
Heat of Formation -1198.9 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 335.01 Å 3
Surface Area 298.21 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-oxoadenosine-3',5'-cyclic phosphate
  • 6-amino-9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1h-purin-2-one
  • 6-amino-9-[(1s,6r,8r,9r)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-1h-purin-2-one
  • adenosine, 1,2-dihydro-2-oxo-, cyclic 3',5'-(hydrogen phosphate)
  • iso-cgmp
  • isoguanosine-3',5'-cyclic phosphate
CAS Number(s)
  • 51785-80-9
InChIKey TUJVBTCPSGOWTB-UUOKFMHZSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N