(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)Cyclopropyl]Amino]-5-Propylsulfanyl-Triazolo[4,5-D]Pyrimidin-3-Ium-6-Id-3-Yl]-5-(2-Hydroxyethoxy)Cyclopentane-1,2-Diol

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Formula C23H28F2N6O4S
IUPAC Name (1s,2s,3r,5s)-3-[7-[[(1r,2s)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-ium-6-id-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Molecular Mass 522.568 g·mol−1
Heat of Formation -615.2 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 593.11 Å 3
Surface Area 466.88 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
InChIKey FLYURAVZECGYMJ-FNOIDJSQSA-O
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