Methyl (6R)-5-Acetamido-4-O-Acetyl-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C14H23NO10
IUPAC Name (2r,4s,5r,6r)-5-acetamido-4-acetoxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 365.333 g·mol−1
Heat of Formation -1913.1 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 420.69 Å 3
Surface Area 346.35 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-4-acetoxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-acetoxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 4-o-acetyl-alpha-2-omethyl-5-n-acetyl-alpha-d-neuraminic acid
  • ana
InChIKey LWHOUUJWFGBXPR-SVALUAMDSA-N
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