2-Acetamido-2-Deoxy-D-Mannuronic Acid

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Properties Simple | Detailed

Formula C8H13NO7
IUPAC Name (2s,3s,4r,5s)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexanoic acid
Molecular Mass 235.191 g·mol−1
Heat of Formation -1289.4 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 258.95 Å 3
Surface Area 234.21 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5s)-5-acetamido-2,3,4-trihydroxy-6-keto-hexanoic acid
  • (2s,3s,4r,5s)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexanoic acid
  • (2s,3s,4r,5s)-5-acetamido-2,3,4-trihydroxy-6-oxohexanoic acid
  • mannacua
  • mannuronic acid, 2-(acetylamino)-2-deoxy-
  • n-acetylmannosaminuronic acid
CAS Number(s)
  • 57496-35-2
InChIKey MQWZJOSNNICZJE-JWXFUTCRSA-N
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