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

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Properties Simple | Detailed

Formula C10H17NO8
IUPAC Name ethyl 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]acetate
Molecular Mass 279.244 g·mol−1
Heat of Formation -1461.9 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 310.34 Å 3
Surface Area 292.76 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.57 ± 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 ethyl ester
  • 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]amino]acetic acid ethyl ester
  • 7gp
  • ethyl 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]acetate
  • ethyl 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]ethanoate
  • ethyl 2-oxo-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]acetate
  • ethyl-n-(beta-d-glucopyranosyl)oxamate
InChIKey TVQLSCFCYGZTNJ-XSEHCYKFSA-N
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