3-O-Carbamoyl-α-D-Mannopyranose

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Properties Simple | Detailed

Formula C7H13NO7
IUPAC Name [(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate
Molecular Mass 223.181 g·mol−1
Heat of Formation -1325.6 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 239.46 Å 3
Surface Area 220.9 Å 2
HOMO Energy -10.58 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 3fm
  • [(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
  • [(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl] carbamate
  • carbamic acid [(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl] ester
  • carbamic acid [(2s,3s,4s,5r,6r)-2,3,5-trihydroxy-6-methylol-tetrahydropyran-4-yl] ester
InChIKey VHSXUACPEQOKHS-PQMKYFCFSA-N
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