(2R)-2-{(9R,10S)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]-3,5,9,10-Tetrahydroxy-8,8-Dimethyl-3,5-Dioxido-14,19-Dioxo-2,4,6-Trioxa-11,15-Diaza-3Lambda~5~,5Lambda~5~-Diphosphaicosan-20-Yl}-2-Hydroxysuccinic Acid

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Formula C28H46N7O22P3
IUPAC Name (2r)-2-[5-[3-[[(1s,2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-1,2-dihydroxy-3,3-dimethyl-butyl]amino]propanoylamino]-2-oxo-pentyl]-2-hydroxy-butanedioic acid
Molecular Mass 925.620 g·mol−1
Heat of Formation -1288.5 ± 16.7 kJ·mol−1
Dipole Moment 13.19 ± 1.08 D
Volume 789.25 Å 3
Surface Area 593.0 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy -3.43 ± eV
Point Group Symmetry C1
InChIKey JCKIRWYQPYQCEC-LEOMKMBGSA-N
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