1-O-Retinoyl-.β.-D-Glucopyranuronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H14O8
IUPAC Name carbon dioxide; (3,4,5-trioxotetrahydropyran-2-yl) 5-[2-[2-[(1r)-2-methylene-1-(1-methylenebut-2-ynyl)cyclopropyl]ethynyl]cyclopropen-1-yl]penta-2,4-diynoate
Molecular Mass 442.374 g·mol−1
Heat of Formation -1380.8 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 592.5 Å 3
Surface Area 506.8 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-6-[(2e,4e,6e,8e)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-6-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 1-o-[(2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl]-beta-d-glucopyranuronic acid
  • 1-o-all-trans-retinoyl-beta-glucuronic acid
  • 13-cis-retinoyl glucuronide
  • 9-cis-retinoyl-beta-d-glucuronide
  • all-trans-retinoyl-beta-d-glucuronide
  • all-trans-retinoyl-beta-glucuronide
  • beta-d-glucopyranuronic acid, 1-ester with retinoic acid
  • beta-d-glucopyranuronic acid, 1-retinoate
  • glucuronide
  • o(15)-[(2s,3r,4s,5s,6s)-6-carboxy-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]retinoic acid
  • retinoic acid beta-d-glucuronide
  • retinoyl beta-glucuronide
  • retinoyl glucuronide
  • retinoyl-beta-glucuronide
CAS Number(s)
  • 401-10-5
InChIKey MTGFYEHKPMOVNE-NEFMKCFNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O