N-{6-[(2-Carboxy-4,6-Dinitrophenyl)Amino]Hexanoyl}-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C19H26N4O12
IUPAC Name 3,5-dinitro-2-[[6-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]hexyl]amino]benzoic acid
Molecular Mass 502.429 g·mol−1
Heat of Formation -1526.6 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 547.9 Å 3
Surface Area 482.97 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 1.09 ± eV
Point Group Symmetry C1
InChIKey AISZDEOVMGWSKK-SOGIYBJLSA-N
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