2-{[(Benzyloxy)Carbonyl]Amino}-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C14H19NO7
IUPAC Name benzyl n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]carbamate
Molecular Mass 313.303 g·mol−1
Heat of Formation -1177.0 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 363.46 Å 3
Surface Area 321.68 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]carbamic acid benzyl ester
  • n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]carbamate
  • phenylmethyl n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]carbamate
  • phenylmethyl n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
InChIKey GLXPSFVNAPWXDF-UMSGYPCISA-N
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