(2S,4As,6R,7R,7Ar)-2-Hydroxy-6-[6-[[(1S)-1-Methyl-2-Phenyl-Ethyl]Amino]Purine-1,3,7-Triium-9-Yl]-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol

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Formula C19H24N5O6P
IUPAC Name (2s,4as,6r,7r,7ar)-2-hydroxy-6-[6-[[(1s)-1-methyl-2-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 449.397 g·mol−1
Heat of Formation -990.8 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 489.34 Å 3
Surface Area 367.19 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey QQKKXVULNZUEAU-IQAYWSRLSA-O
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