3-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)-2-Hydroxypropyl 4-(Benzyloxy)Benzoate

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Properties Simple | Detailed

Formula C24H24N4O6
IUPAC Name [(2s)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] 4-benzyloxybenzoate
Molecular Mass 464.471 g·mol−1
Heat of Formation 2332.9 ± 16.7 kJ·mol−1
Dipole Moment 9.69 ± 1.08 D
Volume 463.18 Å 3
Surface Area 324.67 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
InChIKey KMRDAVBNQQOIRH-SFHVURJKSA-N
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