N-Octanoyl-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C14H27NO6
IUPAC Name n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]octanamide
Molecular Mass 305.367 g·mol−1
Heat of Formation -1303.4 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 374.68 Å 3
Surface Area 346.76 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 3.58 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]octanamide
  • n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]octanamide
  • n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]octanamide
  • n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]caprylamide
InChIKey XEPXGZZWVKNRGS-RGCYKPLRSA-N
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