(2S)-3-Methyl-2-{[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Amino}Butanoic Acid

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Formula C11H23NO7
IUPAC Name (2s)-3-methyl-2-[[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]butanoic acid
Molecular Mass 281.303 g·mol−1
Heat of Formation -1452.7 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 343.25 Å 3
Surface Area 287.61 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-methyl-2-[[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]butyric acid
  • d-glucitol, 1-((1-carboxy-2-methylpropyl)amino)-1-deoxy-, (s)-
  • glucitol-valine
  • glucitolvaline
CAS Number(s)
  • 88455-08-7
InChIKey YCFRSHNMJZSIOI-SQXHDICFSA-N
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