Benzyl (6R)-3,5-Dideoxy-5-(Propionylamino)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C19H27NO9
IUPAC Name (2r,4s,5r,6r)-2-benzyloxy-4-hydroxy-5-(propanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 413.419 g·mol−1
Heat of Formation -1622.2 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 479.97 Å 3
Surface Area 401.62 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-2-(benzyloxy)-4-hydroxy-5-propionamido-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-4-hydroxy-2-(phenylmethoxy)-5-(propanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-4-hydroxy-2-(phenylmethoxy)-5-(propanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-4-hydroxy-5-(1-oxopropylamino)-2-(phenylmethoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • 2-phenyl-prop5ac
InChIKey XDURJXFZCXMSHL-YZKZVDITSA-N
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