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

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Properties Simple | Detailed

Formula C11H20N2O8
IUPAC Name (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoic acid
Molecular Mass 308.285 g·mol−1
Heat of Formation -1543.8 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 347.42 Å 3
Surface Area 284.64 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-amino-propanoic acid
  • (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoic acid
  • (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoic acid
  • (2s)-3-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-amino-propionic acid
  • (2s)-3-[[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-aminopropanoic acid
  • o-(2-acetamido-2-deoxy-alpha-d-galactopyranosyl)-l-serine
  • tnr
InChIKey REDMNGDGDYFZRE-WKWISIMFSA-N
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