Methyl (3S,4S,5R)-4-(Benzyloxy)-3,5-Dihydroxy-1-Cyclohexene-1-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18O5
IUPAC Name methyl (3s,4s,5r)-4-benzyloxy-3,5-dihydroxy-cyclohexene-1-carboxylate
Molecular Mass 278.300 g·mol−1
Heat of Formation -769.8 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 328.76 Å 3
Surface Area 282.54 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,5r)-3,5-dihydroxy-4-(phenylmethoxy)-1-cyclohexenecarboxylic acid methyl ester
  • (3s,4s,5r)-4-(benzyloxy)-3,5-dihydroxy-cyclohexene-1-carboxylic acid methyl ester
  • mbesk
  • methyl (3s,4s,5r)-3,5-dihydroxy-4-(phenylmethoxy)cyclohexene-1-carboxylate
  • methyl 4-o-benzyl-3-epishikimate
CAS Number(s)
  • 117661-93-5
InChIKey FHHTZLRWVKHZCD-BFHYXJOUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O