(2R,3S,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-2-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate

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Formula C14H49N10O10P
IUPAC Name ammonia; [(2r,3s,5r)-5-[bis(aminomethyl)amino]-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-[bis(aminomethyl)amino]-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphate; dihydrate
Molecular Mass 548.574 g·mol−1
Heat of Formation -1690.5 ± 16.7 kJ·mol−1
Dipole Moment 14.57 ± 1.08 D
Volume 622.55 Å 3
Surface Area 473.43 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey KGXGIPRRDQWVET-WGWHJZDNSA-N
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