[(2R,3S,4R,5R)-5-(8-Azido-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C10H14N7O8P
IUPAC Name [(2r,3s,4r,5r)-5-(8-azido-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 391.234 g·mol−1
Heat of Formation -1108.0 ± 16.7 kJ·mol−1
Dipole Moment 11.07 ± 1.08 D
Volume 380.85 Å 3
Surface Area 327.87 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
InChIKey LNHRUHQMSRDVEB-UUOKFMHZSA-P
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