4-O-β-D-Glucopyranosyl-5-O-Phosphono-D-Ribitol

Molecule SVG Image

Properties Simple | Detailed

Formula C11H23O13P
IUPAC Name [(2r,3s,4s)-3,4,5-trihydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl] dihydrogen phosphate
Molecular Mass 394.266 g·mol−1
Heat of Formation -2745.5 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 423.43 Å 3
Surface Area 347.87 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-gpr-1p
  • 2-o-glucopyranosylribitol-1-phosphate
  • [(2r,3s,4s)-3,4,5-trihydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-3,4,5-trihydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl] dihydrogen phosphate
  • [(2r,3s,4s)-3,4,5-trihydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-3,4,5-trihydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-pentyl] dihydrogen phosphate
  • [(2r,3s,4s)-3,4,5-trihydroxy-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentyl] dihydrogen phosphate
  • d-ribitol, 4-o-beta-d-glucopyranosyl-, 5-(dihydrogen phosphate)
CAS Number(s)
  • 71418-26-3
InChIKey HJZBAIMJDQCPCL-YLGJMLSFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O H