3-Nitro-5-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzamide

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Formula C13H16N2O9
IUPAC Name 3-nitro-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 344.274 g·mol−1
Heat of Formation -1215.5 ± 16.7 kJ·mol−1
Dipole Moment 1.60 ± 1.08 D
Volume 364.61 Å 3
Surface Area 315.63 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
InChIKey MRXJTBOEBSGAOL-LNSPPBFMSA-N
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