(4-{[(6-Benzyl-1-Hydroxy-7-Methoxy-2-Oxo-1,2-Dihydro-3-Quinolinyl)Amino]Methyl}-5-Hydroxy-6-Methyl-3-Pyridinyl)Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C25H26N3O8P
IUPAC Name [4-[[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-3-quinolyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 527.463 g·mol−1
Heat of Formation -1262.1 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 581.7 Å 3
Surface Area 507.88 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey XUOFFKSMLSNCMV-UHFFFAOYSA-N
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