4-Hydroxyphenyl β-L-Glucopyranoside

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Properties Simple | Detailed

Formula C12H16O7
IUPAC Name (2s,3r,4r,5s,6r)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
Molecular Mass 272.251 g·mol−1
Heat of Formation -1171.8 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 303.96 Å 3
Surface Area 273.69 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r,6s)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
InChIKey BJRNKVDFDLYUGJ-SVNGYHJRSA-N
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Elements H C O