[(2S)-2-Amino-3-Phenyl-Propyl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H27N6O7P
IUPAC Name [(2s)-2-amino-3-phenyl-propyl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 482.427 g·mol−1
Heat of Formation -1221.7 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 529.23 Å 3
Surface Area 443.61 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey OFABGJWTVIIIDV-BPAMBQHCSA-O
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