(3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxytetrahydro-2-Furanyl Hydrogen {9-[(3S,5S)-5-({[{[(2S,3R)-2,3-Dihydroxy-4-Methylpentanoyl]Amino}(Hydroxy)Phosphoryl]Oxy}Methyl)-3-Hydroxytetrahydro-2-Furanyl]-9H-Purin-6-Yl}Phosphoramidate

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Formula C22H36N6O16P2
IUPAC Name [(2s,3r,4r,5s)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-n-[9-[(2r,3s,5s)-5-[[[[(2s,3r)-2,3-dihydroxy-4-methyl-pentanoyl]amino]-hydroxy-phosphoryl]oxymethyl]-3-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]phosphonamidic acid
Molecular Mass 702.499 g·mol−1
Heat of Formation -3258.6 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 751.87 Å 3
Surface Area 600.63 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey FIMRCGIHIAIVOL-YCBWKIOVSA-N
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