(2S,3S,4S,5R,6R)-6-[(2R,3R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-3-(4-Nitrophenyl)Propoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid

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Formula C17H20Cl2N2O11
IUPAC Name (2s,3s,4s,5r,6r)-6-[(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 499.253 g·mol−1
Heat of Formation -1634.1 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 516.28 Å 3
Surface Area 410.5 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey GVPAYVNXRSTXBR-PEXHWNMISA-N
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Elements H C N O Cl