(6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2-Dihydroxypropyl]-α-L-Threo-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C11H19NO8
IUPAC Name (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 293.270 g·mol−1
Heat of Formation -1601.4 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 329.96 Å 3
Surface Area 285.3 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxypropyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxypropyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxypropyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • 5-(acetylamino)-3,5,9-trideoxy-d-glycero-beta-d-galacto-2-nonulopyranosonic acid
  • d-glycero-beta-d-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5,9-trideoxy-
  • n-acetyl-9-deoxyneuraminic acid
  • na-9-dnaa
CAS Number(s)
  • 117193-36-9
InChIKey HTPINWISPUXEEO-RXPPVQSPSA-N
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