(6R)-5-Acetamido-2,6-Anhydro-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Erythro-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C11H17NO8
IUPAC Name (2r,3r,4r)-3-acetamido-4-hydroxy-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 291.255 g·mol−1
Heat of Formation -1452.4 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 323.93 Å 3
Surface Area 289.13 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 2,3-dehydro-4-epi-n-acetylneuraminic acid
  • d-glycero-d-talo-non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-
  • dheana
CAS Number(s)
  • 79026-37-2
InChIKey JINJZWSZQKHCIP-PKGQWCBFSA-N
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