[[5-(6-Aminopurin-9-Ium-4-Ylium-9-Yl)-4-Hydroxy-3-Phosphonooxy-2-Furyl]Methoxy-Hydroxy-Phosphoryl] [(3R)-4-[[3-[[(E)-2-(2,2-Dihydroxyethylsulfanyl)Vinyl]Amino]-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C23H34N7O18P3S
IUPAC Name [[5-(6-aminopurin-9-ium-4-ylium-9-yl)-4-hydroxy-3-phosphonooxy-2-furyl]methoxy-hydroxy-phosphoryl] [(3r)-4-[[3-[[(e)-2-(2,2-dihydroxyethylsulfanyl)vinyl]amino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] hydrogen phosphate
Molecular Mass 821.538 g·mol−1
Heat of Formation -3756.2 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 834.76 Å 3
Surface Area 688.37 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey IWZWXZGRAJOFTE-QWNKOJSDSA-N
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