3-[3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)Tetrahydrofuran-2-Yl]Propanoyl]Benzoic Acid

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Properties Simple | Detailed

Formula C19H19N4O7
IUPAC Name 3-[3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]propanoyl]benzoic acid
Molecular Mass 415.377 g·mol−1
Heat of Formation -860.3 ± 16.7 kJ·mol−1
Dipole Moment 12.26 ± 1.08 D
Volume 450.42 Å 3
Surface Area 392.99 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
InChIKey OWPZYCOCNAPSAO-SCFUHWHPSA-P
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