5'-O-{[(3-Bromo-2-Oxopropyl)Sulfanyl](Hydroxy)Phosphoryl}Guanosine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H18BrN5O8PS
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(3-bromo-2-oxo-propyl)sulfanyl-phosphinic acid
Molecular Mass 515.253 g·mol−1
Heat of Formation -1367.6 ± 16.7 kJ·mol−1
Dipole Moment 13.16 ± 1.08 D
Volume 480.16 Å 3
Surface Area 406.51 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(3-bromo-2-keto-propyl)thio]phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-[(3-bromo-2-oxopropyl)thio]phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(3-bromo-2-oxo-propyl)sulfanyl-phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(3-bromo-2-oxo-propyl)sulfanyl-phosphinic acid
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(3-bromo-2-oxopropyl)sulfanylphosphinic acid
  • gboptp
  • guanosine-5'-o-(s-(3-bromo-2-oxopropyl))thiophosphate
CAS Number(s)
  • 144085-39-2
InChIKey OZHNVPATUGVHLV-WOUKDFQISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S Br