(4Ar,6R,7R,7As)-6-[6-(Benzylamino)-9H-Purin-9-Yl]Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2,7-Diol 2-Oxide

Molecule SVG Image

Properties Simple | Detailed

Formula C17H18N5O6P
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-(benzylamino)purine-1,3,7-triium-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 419.328 g·mol−1
Heat of Formation -887.5 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 442.1 Å 3
Surface Area 390.32 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,6r,8r,9r)-3-hydroxy-3-oxo-8-[6-(phenylmethylamino)-9-purinyl]-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-3-hydroxy-3-oxo-8-[6-(phenylmethylamino)purin-9-yl]-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • (1s,6r,8r,9r)-8-[6-(benzylamino)purin-9-yl]-3-hydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
  • adenosine, n-(phenylmethyl)-, cyclic 3',5'-(hydrogen phosphate)
  • n(6)-benzyl camp
  • n(6)-benzyl cyclic amp
  • n(6)-benzyl-cyclic adenosine 5'-monophosphate
CAS Number(s)
  • 32115-08-5
  • 65199-05-5
InChIKey GDDBIAMRTVTOBL-LSCFUAHRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N