1-(5-O-Phosphono-β-D-Ribofuranosyl)-3-Pyridiniumcarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14NO9P
IUPAC Name [(2r,3s,4r,5r)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 335.204 g·mol−1
Heat of Formation -1686.7 ± 16.7 kJ·mol−1
Dipole Moment 14.24 ± 1.08 D
Volume 336.67 Å 3
Surface Area 290.67 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-3-pyridin-1-iumcarboxylate
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate
  • nicotinic acid mononucleotide
  • pyridinium, 3-carboxy-1-(5-o-phosphono-beta-d-ribofuranosyl)-, inner salt
CAS Number(s)
  • 321-02-8
  • 14922-97-5
  • 7413-38-9
  • 94628-21-4
InChIKey JOUIQRNQJGXQDC-ZYUZMQFOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N