Methyl (6R)-5-Acetamido-6-{(1R,2R)-3-[(4-Biphenylylcarbonyl)Amino]-1,2-Dihydroxypropyl}-3,5-Dideoxy-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Properties Simple | Detailed

Formula C25H30N2O9
IUPAC Name (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 502.514 g·mol−1
Heat of Formation -1533.6 ± 16.7 kJ·mol−1
Dipole Moment 8.31 ± 1.08 D
Volume 577.34 Å 3
Surface Area 470.81 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(4-phenylbenzoyl)amino]propyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(4-phenylphenyl)carbonylamino]propyl]-4-hydroxy-2-methoxy-oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[[oxo-(4-phenylphenyl)methyl]amino]propyl]-4-hydroxy-2-methoxy-2-tetrahydropyrancarboxylic acid
InChIKey WBWCOQWBSRYCDR-TUTCKEIYSA-N
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