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

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Formula C21H29N10O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-2-azido-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-4h-pyridin-4-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 707.461 g·mol−1
Heat of Formation -2366.7 ± 16.7 kJ·mol−1
Dipole Moment 9.67 ± 1.08 D
Volume 682.81 Å 3
Surface Area 438.44 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey FDBPWRIVPZROOX-NAJQWHGHSA-P
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