3-[2-[2-Cyclopentyl-6-(4-Dimethylphosphorylanilino)Purine-1,3,7-Triium-9-Yl]Ethyl]Phenol

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Properties Simple | Detailed

Formula C26H30N5O2P
IUPAC Name 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purine-1,3,7-triium-9-yl]ethyl]phenol
Molecular Mass 475.522 g·mol−1
Heat of Formation -110.5 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 572.43 Å 3
Surface Area 486.79 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey UPEMSHYVHYTQBB-UHFFFAOYSA-O
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