[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H27N7O14P2--
IUPAC Name [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [5-(3-carbamoyl-4h-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 663.425 g·mol−1
Heat of Formation -2458.6 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 658.11 Å 3
Surface Area 505.56 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
InChIKey BOPGDPNILDQYTO-ANEWYSHESA-N
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