(6R)-5-Acetamido-3,5-Dideoxy-6-[(1R)-1,3-Dihydroxypropyl]-α-L-Threo-Hex-2-Ulopyranosonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C11H19NO8
IUPAC Name (2s,4s,5r,6r)-5-acetamido-6-[(1r)-1,3-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 293.270 g·mol−1
Heat of Formation -1562.3 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 333.29 Å 3
Surface Area 288.03 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r)-1,3-dihydroxypropyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r)-1,3-dihydroxypropyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r)-1,3-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r)-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • n-acetyl-8-deoxyneuraminic acid
  • na-8-dnma
CAS Number(s)
  • 117247-24-2
InChIKey HSTISHQCJFCNQH-BIIVNPBRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N