(1S)-1,4-Anhydro-1-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-3-Yl)-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13NO12P2
IUPAC Name [(2r,3s,4r,5s)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 389.147 g·mol−1
Heat of Formation -2676.5 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 367.9 Å 3
Surface Area 300.39 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2,5-dione, 3-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5s)-5-(2,5-diketo-3-pyrrolin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,5-dioxo-3-pyrrolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2,5-dioxopyrrol-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  • showdomycin diphosphate
CAS Number(s)
  • 79084-77-8
InChIKey SQNDQPLVOAKNQJ-JBBNEOJLSA-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