N-(9-{5-[(Phosphonooxy)Methyl]Tetrahydro-2-Furanyl}-9H-Purin-6-Yl)Aspartic Acid

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Formula C14H18N5O9P
IUPAC Name (2r)-2-[[9-[(2r,5s)-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid
Molecular Mass 431.295 g·mol−1
Heat of Formation -1678.6 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 451.18 Å 3
Surface Area 387.19 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey MQOGCZQHRYUVEN-VGMNWLOBSA-N
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