(2S)-2-Amino-4-Oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}Butanoic Acid

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Properties Simple | Detailed

Formula C10H17NO9
IUPAC Name (2s)-2-amino-4-oxo-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoic acid
Molecular Mass 295.243 g·mol−1
Heat of Formation -1685.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 321.44 Å 3
Surface Area 283.1 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-4-keto-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyric acid
  • (2s)-2-amino-4-oxo-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-butanoic acid
  • (2s)-2-amino-4-oxo-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
  • (2s)-2-amino-4-oxo-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoic acid
  • (2s)-2-amino-4-oxo-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butanoic acid
  • 1-0-(l-beta-aspartyl)-beta-d-glucopyranose
  • l-aspartic acid, 4-beta-d-glucopyranosyl ester
CAS Number(s)
  • 42721-22-2
InChIKey UOZGZMFRMIEFIX-RFSIWRIWSA-N
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