(2S,3S,4S,5S)-5-[6-Amino-2-(2-Phenylethylamino)Purine-1,3,7-Triium-9-Yl]-N-Ethyl-3,4-Dihydroxy-Tetrahydrofuran-2-Carboxamide

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Formula C20H25N7O4
IUPAC Name (2s,3s,4s,5s)-5-[6-amino-2-(2-phenylethylamino)purine-1,3,7-triium-9-yl]-n-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
Molecular Mass 427.457 g·mol−1
Heat of Formation -433.3 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 498.54 Å 3
Surface Area 412.62 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
InChIKey YIYNRNHBNFFILF-XLPNERPQSA-O
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