3-Phenoxybenzyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H22O7
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(3-phenoxyphenyl)methoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 362.374 g·mol−1
Heat of Formation -1042.9 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 419.42 Å 3
Surface Area 374.92 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[3-(phenoxy)phenyl]methoxy]oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[3-(phenoxy)phenyl]methoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-methylol-6-[3-(phenoxy)benzyl]oxy-tetrahydropyran-3,4,5-triol
  • 3-phenoxybenzyl-beta-d-glucoside
  • 3-phenoxybenzylglucoside
  • 3-phobn-glc
  • beta-d-glucopyranoside, (3-phenoxyphenyl)methyl
CAS Number(s)
  • 63986-16-3
InChIKey NLBZLBZUKFHZSJ-UJWQCDCRSA-N
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