1-Deoxy-1-{2,6,8-Trioxo-7-[5-(Phosphonooxy)Pentyl]-1,2,3,6,7,8-Hexahydro-9H-Purin-9-Yl}-D-Ribitol

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Formula C15H25N4O11P
IUPAC Name 5-[2,6,8-trioxo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purin-7-yl]pentyl dihydrogen phosphate
Molecular Mass 468.353 g·mol−1
Heat of Formation -2312.5 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 510.87 Å 3
Surface Area 400.56 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2,6,8-triketo-9-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]-3h-purin-7-yl]pentyl dihydrogen phosphate
InChIKey LVMWQWUPWMYMKX-KKZNHRDASA-N
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