2-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-1,5-Anhydro-2,3-Dideoxy-6-O-Phosphonohexitol

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Properties Simple | Detailed

Formula C11H17N5O7P
IUPAC Name [(2s,3r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 362.256 g·mol−1
Heat of Formation -1305.8 ± 16.7 kJ·mol−1
Dipole Moment 11.57 ± 1.08 D
Volume 369.66 Å 3
Surface Area 314.38 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey IBBBHRHYCFXRDW-LYFYHCNISA-N
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