Arbutin

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Properties Simple | Detailed

Formula C12H16O7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
Molecular Mass 272.251 g·mol−1
Heat of Formation -1170.2 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 305.43 Å 3
Surface Area 272.33 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol
  • 4-hydroxyphenyl-.beta.-d-glucopyranoside
  • bpbio1_001333
  • sdccgmls-0066538.p001
  • smp1_000028
  • ursin
  • uvasol
InChIKey BJRNKVDFDLYUGJ-RMPHRYRLSA-N
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