3-C-Amino-5-C-[3-Carboxy-4-(Carboxymethyl)-2-Oxo-3-Cyclohexen-1-Yl]Hexofuranose

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Formula C15H21NO11
IUPAC Name (5r)-5-[(1r)-1-[(2r,3s,4s,5s)-3-amino-3,4,5-trihydroxy-tetrahydrofuran-2-yl]-1,2-dihydroxy-ethyl]-2-(carboxymethyl)-6-oxo-cyclohexene-1-carboxylic acid
Molecular Mass 391.327 g·mol−1
Heat of Formation -2059.9 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 414.02 Å 3
Surface Area 343.89 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey ZVHZQSYVVVWFKK-XWRKQMQBSA-N
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