[(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-Oxo-4-{[3-Oxo-3-(Propylamino)Propyl]Amino}Butyl Dihydrogen Diphosphate (Non -Preferred Name)

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Properties Simple | Detailed

Formula C22H38N7O16P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] hydrogen phosphate
Molecular Mass 749.496 g·mol−1
Heat of Formation -3740.0 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 790.45 Å 3
Surface Area 606.13 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey JJSFSVFKDOGQNC-GORZOVPNSA-N
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