Methyl 6-O-(Heptylcarbamoyl)-α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C15H29NO7
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl n-heptylcarbamate
Molecular Mass 335.393 g·mol−1
Heat of Formation -1455.5 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 419.24 Å 3
Surface Area 347.35 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 3.98 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-(n-heptylcarbamoyl)-methyl-alpha-d-glucopyranoside
  • 6-o-(n-heptylcarbamoyl)methyl-alpha-d-glucopyranoside
  • 6-o-(n-heptylcarbamoyl)methylglucoside
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxy-oxan-2-yl]methyl n-heptylcarbamate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl n-heptylcarbamate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl n-heptylcarbamate
  • alpha-d-glucopyranoside, methyl, 6-(heptylcarbamate)
  • hecameg
  • methyl 6-o-(n-heptylcarbamoyl)-alpha-d-glucopyranoside
  • n-heptylcarbamic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxy-2-tetrahydropyranyl]methyl ester
  • n-heptylcarbamic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl ester
CAS Number(s)
  • 115457-83-5
InChIKey XPIVOYOQXKNYHA-RGDJUOJXSA-N
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