[4-Formyl-5-Hydroxy-6-Methyl-3-(Phosphonooxymethyl)Pyridin-1-Ium-3-Id-2-Yl]-[(6-Nitro-4,8-Disulfo-2-Naphthyl)Azanidyl]Azanide

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Properties Simple | Detailed

Formula C18H22N4O14PS2
IUPAC Name [4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-1-ium-3-id-2-yl]-[(6-nitro-4,8-disulfo-2-naphthyl)azanidyl]azanide
Molecular Mass 613.489 g·mol−1
Heat of Formation -1938.5 ± 16.7 kJ·mol−1
Dipole Moment 10.71 ± 1.08 D
Volume 573.38 Å 3
Surface Area 469.84 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
InChIKey STQURRRLSTURIM-QZQOTICOSA-N
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