[5-Hydroxy-4-({[6-(3-Hydroxypropyl)-2-Oxo-1,2-Dihydro-3-Pyridinyl]Amino}Methyl)-6-Methyl-3-Pyridinyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C16H23N3O7P+
IUPAC Name [5-hydroxy-4-[[[6-(3-hydroxypropyl)-2-oxo-3-pyridyl]amino]methyl]-6-methyl-pyridin-1-ium-3-id-3-yl]methyl dihydrogen phosphate
Molecular Mass 400.343 g·mol−1
Heat of Formation -1428.1 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 445.76 Å 3
Surface Area 405.08 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey DNUFYYJENFLUSM-UHFFFAOYSA-O
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