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

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Properties Simple | Detailed

Formula C11H17NO9
IUPAC Name (2r,3r,4s)-4-hydroxy-3-[(2-hydroxyacetyl)amino]-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 307.254 g·mol−1
Heat of Formation -1602.2 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 334.17 Å 3
Surface Area 299.01 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-4-hydroxy-5-(2-hydroxyethanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-(glycoloylamino)-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 2-deoxy-2,3-didehydro-n-glycoloylneuraminic acid
  • d-glycero-d-galacto-non-2-enonic acid, 2,6-anhydro-3,5-dideoxy-5-((hydroxyacetyl)amino)-
  • dodh-ngna
CAS Number(s)
  • 39937-91-2
InChIKey FDONZIZJWIPGCO-NCJYIMSCSA-N
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