7-Oxo-7H-Furo[3,2-G]Chromen-4-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C17H17O9+
IUPAC Name 4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyfuro[3,2-g]chromen-7-one
Molecular Mass 365.311 g·mol−1
Heat of Formation -1291.2 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 386.32 Å 3
Surface Area 321.14 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
  • 4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyfuro[3,2-g]chromen-7-one
  • 4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyfuro[3,2-g]chromen-7-one
  • 4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-7-furo[3,2-g]chromenone
  • 7h-furo(3,2-g)(1)benzopyran-7-one, 4-(beta-d-glucopyranosyloxy)-
  • bergaptol-o-beta-d-glucopyranoside
  • bergaptol-o-glucopyranoside
CAS Number(s)
  • 131623-13-7
InChIKey CVAHFYWRHVOEBA-AQFIFQLPSA-N
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