N-[(Cyclopropylamino)(Oxo)Acetyl]-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C11H18N2O7
IUPAC Name n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxamide
Molecular Mass 290.270 g·mol−1
Heat of Formation -1168.0 ± 16.7 kJ·mol−1
Dipole Moment 1.37 ± 1.08 D
Volume 327.7 Å 3
Surface Area 304.24 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 8gp
  • n-(beta-d-glucopyranosyl)-n'-cyclopropyl oxalamide
  • n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxamide
  • n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanediamide
  • n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxamide
  • n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxamide
  • n-cyclopropyl-n'-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxamide
InChIKey ZDEMZENRHYGLSV-NEBGFLKFSA-N
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