2-(4-Methyl-3-Cyclohexen-1-Yl)-2-Propanyl β-D-Glucopyranoside

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Formula C16H28O6
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[1-methyl-1-[(1s)-4-methylcyclohex-3-en-1-yl]ethoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 316.390 g·mol−1
Heat of Formation -1211.6 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 395.89 Å 3
Surface Area 331.64 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[1-methyl-1-[(1s)-4-methyl-1-cyclohex-3-enyl]ethoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[2-[(1s)-4-methyl-1-cyclohex-3-enyl]propan-2-yloxy]oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[1-methyl-1-[(1s)-4-methyl-1-cyclohex-3-enyl]ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey NZNWCYFBFHHMLM-LACSLYJWSA-N
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