(6S)-5-Acetamido-3,5-Dideoxy-6-[(2S)-2,3-Dihydroxypropyl]-α-L-Threo-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C11H19NO8
IUPAC Name (2s,4s,5r,6s)-5-acetamido-6-[(2s)-2,3-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 293.270 g·mol−1
Heat of Formation -1604.9 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 329.18 Å 3
Surface Area 290.41 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6s)-5-acetamido-6-[(2s)-2,3-dihydroxypropyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6s)-5-acetamido-6-[(2s)-2,3-dihydroxypropyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,4s,5r,6s)-5-acetamido-6-[(2s)-2,3-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6s)-5-acetamido-6-[(2s)-2,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • (2s,4s,5r,6s)-5-acetamido-6-glyceryl-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • n-acetyl-7-deoxyneuraminic acid
  • na-7-dnma
CAS Number(s)
  • 117193-31-4
InChIKey OJKMRYAMSZNUHX-HQCZOREISA-N
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