[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Hydroxy-3-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl (3R)-3-Hydroxy-2,2-Dimethyl-4-[(3-{[4-(Methylsulfonyl)Butyl]Amino}-3-Oxopropyl)Amino]-4-Oxobutyl Dihydrog En Diphosphate (Non-Preferred Name)

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Formula C24H42N7O18P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-4-ylium-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxo-propyl]amino]-4-oxo-butyl] hydrogen phosphate
Molecular Mass 841.613 g·mol−1
Heat of Formation -4058.8 ± 16.7 kJ·mol−1
Dipole Moment 11.41 ± 1.08 D
Volume 881.72 Å 3
Surface Area 728.0 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
InChIKey RMJJETDNMMDBND-NDZSKPAWSA-N
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