(2S)-2-Methyl-6-Oxo-3,6-Dihydro-2H-Pyran-4-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C12H18O8
IUPAC Name (2s)-2-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3-dihydropyran-6-one
Molecular Mass 290.267 g·mol−1
Heat of Formation -1431.9 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 319.82 Å 3
Surface Area 274.45 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydropyran-2-one
  • (6s)-6-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5,6-dihydropyran-2-one
  • (6s)-6-methyl-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5,6-dihydropyran-2-one
  • (6s)-6-methyl-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 4-(beta-d-glucopyranosyloxy)-5,6-dihydro-6-methyl-, (6s)-
  • 2h-pyran-2-one, 4-(beta-d-glucopyranosyloxy)-5,6-dihydro-6-methyl-, (s)-
  • gerberi
  • gerberin
CAS Number(s)
  • 125445-59-2
InChIKey VOGIOFXGPGYBDO-QHUZOQRCSA-N
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