(2S,3R)-3-{[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-2-Aminobutanoic Acid

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Formula C12H22N2O8
IUPAC Name (2s,3r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-butanoic acid
Molecular Mass 322.312 g·mol−1
Heat of Formation -1587.7 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 369.51 Å 3
Surface Area 301.51 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-amino-butanoic acid
  • (2s,3r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminobutanoic acid
  • (2s,3r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-butanoic acid
  • (2s,3r)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-amino-butyric acid
  • (2s,3r)-3-[[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-aminobutanoic acid
InChIKey KUIFHYPNNRVEKZ-VIJRYAKMSA-N
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