[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4S,5R,6R)-2-[(1S,2S)-2-Chloro-1-[[(2S,4S)-4-Ethylpiperidine-2-Carbonyl]Amino]Propyl]-3,5-Dihydroxy-6-Methylsulfanyl-Tetrahydropyran-4-Yl] Hydrogen Phosphate

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Formula C27H43ClN7O11PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4s,5r,6r)-2-[(1s,2s)-2-chloro-1-[[(2s,4s)-4-ethylpiperidine-2-carbonyl]amino]propyl]-3,5-dihydroxy-6-methylsulfanyl-tetrahydropyran-4-yl] hydrogen phosphate
Molecular Mass 740.162 g·mol−1
Heat of Formation -2223.9 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 806.51 Å 3
Surface Area 544.09 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey YNGMVQDPOKVFNA-QSSAZXSKSA-O
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Elements C Cl H O N P S