[[(2R,3S,5R)-5-[4-Amino-5-[5-(10-Hydroxydecanoylamino)Pent-1-Ynyl]Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C26H43N5O14P3
IUPAC Name [[(2r,3s,5r)-5-[4-amino-5-[5-(10-hydroxydecanoylamino)pent-1-ynyl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 742.566 g·mol−1
Heat of Formation -3281.6 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 817.24 Å 3
Surface Area 719.12 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey CXQDMMMTIQMWGW-QZNHQXDQSA-O
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