(1S,2R,3S,4S,5R,6S)-2,4-Bis{[Ammonio(Imino)Methyl]Amino}-5-({5-Deoxy-2-O-[2-Deoxy-2-(Methylammonio)-α-L-Glucopyranosyl]-3-C-(Hydroxymethyl)-α-L-Lyxofuranosyl}Oxy)-3,6-Dihydroxycyclohexyl Phosphate

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Formula C21H7N7O15P
IUPAC Name cyanamide; [2-[[(1z,8z)-8-[2-cyano-1-[(e)-cyanoazo]-2-oxo-ethylidene]-4,6,7,12-tetraoxo-3,5,9,13-tetraoxa-4-phosphoniabicyclo[8.2.1]trideca-1,10-dien-11-yl]oxy]-4,5-dioxo-6-(oxomethylene)pyran-3-yl]-methylidyne-ammonium; formaldehyde
Molecular Mass 628.292 g·mol−1
Heat of Formation -261.2 ± 16.7 kJ·mol−1
Dipole Moment 13.20 ± 1.08 D
Volume 624.33 Å 3
Surface Area 487.5 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -4.24 ± eV
Point Group Symmetry C1
InChIKey DCRWHJGCOKPJBN-RZIYEUGXSA-N
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