N-(Carboxycarbonyl)-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C8H13NO8
IUPAC Name 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]acetic acid
Molecular Mass 251.191 g·mol−1
Heat of Formation -1448.7 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 267.97 Å 3
Surface Area 247.97 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-keto-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]amino]acetic acid
  • 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]amino]acetic acid
  • 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]acetic acid
  • 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoic acid
  • 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]acetic acid
  • 4gp
  • n-(beta-d-glucopyranosyl)oxamic acid
InChIKey ZSURXDJFFBVRAT-UHKLXPPTSA-N
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