[(2R,3S,4S)-2,3,4-Trihydroxy-5-(7-Methyl-2,4,8-Trioxo-1,5,6,9-Tetrahydropyrimido[4,5-B]Quinoline-4A,5,5A,6,7,9,9A,10A-Octaid-10-Yl)Pentyl] Dihydrogen Phosphate

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Formula C17H20N3O10P
IUPAC Name [(2r,3s,4s)-2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1,5,6,9-tetrahydropyrimido[4,5-b]quinoline-4a,5,5a,6,7,9,9a,10a-octaid-10-yl)pentyl] dihydrogen phosphate
Molecular Mass 457.329 g·mol−1
Heat of Formation -1974.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 475.98 Å 3
Surface Area 408.5 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey DNRNKGHRJOKLNK-RCNWSICNSA-Q
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