4-O-(4-Deoxy-β-L-Threo-Hex-4-Enopyranuronosyl)-β-D-Galactopyranuronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16O12
IUPAC Name (2s,3r,4s)-2-[(2s,3r,4r,5r,6r)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 352.248 g·mol−1
Heat of Formation -2095.8 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 351.13 Å 3
Surface Area 286.95 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6s)-6-[(2s,3r,4r,5r,6r)-2-carboxy-4,5,6-trihydroxy-oxan-3-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6s)-6-[(2s,3r,4r,5r,6r)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6s)-6-[(2s,3r,4r,5r,6r)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6s)-6-[[(2s,3r,4r,5r,6r)-2-carboxy-4,5,6-trihydroxy-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 4-(4-deoxy-alpha-d-gluc-4-enuronosyl)-d-galacturonate
InChIKey LLVVMXFNKAHVEZ-KMBKDFKYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O