(3S,8S,11S,16R,17S,18S)-13,16,17,18-Tetrahydroxy-19-(8-Hydroxy-2,4-Dioxo-3,4-Dihydropyrimido[4,5-B]Quinolin-10(2H)-Yl)-11-Methyl-5,10-Dioxo-12,14-Dioxa-4,9-Diaza-13-Phosphanonadecane-1,3,8-Tricarboxylic Acid 13-Oxide

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Formula C29H44N5O18P
IUPAC Name (3s,8s,11s,16r,17s,18s)-13,16,17,18-tetrahydroxy-19-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-11-methyl-5,10-dioxo-12,14-dioxa-4,9-diaza-13-phosphanonadecane-1,3,8-tricarboxyl ic acid 13-oxide
Molecular Mass 781.656 g·mol−1
Heat of Formation -3467.2 ± 16.7 kJ·mol−1
Dipole Moment 9.93 ± 1.08 D
Volume 837.06 Å 3
Surface Area 711.95 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey GEHSZWRGPHDXJO-NALJQGANSA-N
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