(1R,5R)-2-Acetamido-1,5-Anhydro-2,4-Dideoxy-5-Phosphono-1-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Pentitol

Molecule SVG Image

Properties Simple | Detailed

Formula C10H20NO9P
IUPAC Name [(2r,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]phosphonic acid
Molecular Mass 329.241 g·mol−1
Heat of Formation -1992.9 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 357.98 Å 3
Surface Area 310.91 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • (4-acetamido-2,4-dideoxy-d-glycero-alpha-d-galacto-1-octopyranosyl)phosphonic acid
  • [(2r,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyranyl]phosphonic acid
  • [(2r,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]phosphonic acid
  • eqp
InChIKey QITAGYVZDNZULE-IHICSVBISA-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