(2S,4S)-2-Methyl-6-Oxotetrahydro-2H-Pyran-4-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H20O8
IUPAC Name (4s,6s)-6-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-one
Molecular Mass 292.282 g·mol−1
Heat of Formation -1502.0 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 332.95 Å 3
Surface Area 295.78 Å 2
HOMO Energy -10.48 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6s)-6-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-one
  • (4s,6s)-6-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-one
  • (4s,6s)-6-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-one
  • (4s,6s)-6-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-one
  • (4s,6s)-6-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranone
  • 2h-pyran-2-one, 4-(beta-d-glucopyranosyloxy)tetrahydro-6-methyl-, (4s,6s)-
  • 2h-pyran-2-one, 4-(beta-d-glucopyranosyloxy)tetrahydro-6-methyl-, (4s-trans)-
  • parasorboside
CAS Number(s)
  • 33276-04-9
InChIKey MGRDPWLWGQMMGX-KQSBPNOMSA-N
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