4-Hydroxy-2-(Hydroxymethyl)Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C13H18O8
IUPAC Name (2s,3r,4s,5s,6r)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 302.277 g·mol−1
Heat of Formation -1389.9 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 338.98 Å 3
Surface Area 287.01 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-(4-hydroxy-2-methylol-phenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-hydroxy-2-(hydroxymethyl)phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey NPNFZOGKIFFKGT-UJPOAAIJSA-N
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