5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-3,4-Dihydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-1-O-Phosphonato-D-Xylitol

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Properties Simple | Detailed

Formula C18H16N3O9P+
IUPAC Name 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-1-o-phosphonato-d-xylitol
Molecular Mass 449.308 g·mol−1
Heat of Formation 697.5 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 425.05 Å 3
Surface Area 375.22 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
InChIKey LAWFKZVKVIYTAR-KKUMJFAQSA-N
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