[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-[(1S,3R)-3-Carbamoyl-3,4-Dihydro-2H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C21H31N7O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-[(1s,3r)-3-carbamoyl-3,4-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 667.457 g·mol−1
Heat of Formation -2837.3 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 693.67 Å 3
Surface Area 549.7 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey CHQYSTZQRGPRCL-MTKBYBFRSA-O
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