1-Deoxy-1-{2,6,8-Trioxo-7-[3-(Phosphonooxy)Propyl]Octahydro-9H-Purin-9-Yl}-D-Ribitol

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Formula C13H23N4O11P
IUPAC Name 3-[2,6,8-trioxo-9-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purine-4,5-diid-7-yl]propyl dihydrogen phosphate
Molecular Mass 442.316 g·mol−1
Heat of Formation -2291.3 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 452.06 Å 3
Surface Area 402.0 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey XCPJJCQVUDDRBM-ZYXJHOAFSA-Q
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