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

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Properties Simple | Detailed

Formula C11H16N5O6P
IUPAC Name [4-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-2-oxo-1-(oxomethylene)but-3-ynoxy]methoxy-oxido-oxo-phosphonium
Molecular Mass 345.248 g·mol−1
Heat of Formation 107.2 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 338.77 Å 3
Surface Area 289.75 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -3.43 ± eV
Point Group Symmetry C1
InChIKey YTRYYFQQGYRCHL-PRJMDXOYSA-N
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