N-[(2E)-2-Butenoyl]-9-(5-O-Phosphono-β-D-Ribofuranosyl)-9H-Purin-2-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-[2-[[(e)-but-2-enoyl]amino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 415.295 g·mol−1
Heat of Formation -1404.0 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 434.68 Å 3
Surface Area 384.91 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-[2-[[(e)-1-oxobut-2-enyl]amino]-9-purinyl]-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-[[(e)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-[[(e)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[2-[[(e)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • guanosine, n-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate)
  • monobutyryl cyclic gmp
  • n(2)-monobutyryl guanosine-3',5'-cyclic monophosphate
  • n-monobutyryl cgmp
CAS Number(s)
  • 52246-50-1
InChIKey WLJLTNJBLUCOLV-RGBORCEKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C P O N