3-[1-[5-[[[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-3-Formyl-4H-Pyridin-4-Yl]-2-Oxo-Propanoic Acid

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Formula C24H30N6O17P2
IUPAC Name 3-[(4s)-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-formyl-4h-pyridin-4-yl]-2-oxo-propanoic acid
Molecular Mass 736.473 g·mol−1
Heat of Formation -1283.4 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 644.68 Å 3
Surface Area 447.79 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -2.89 ± eV
Point Group Symmetry C1
InChIKey KMUXHEHGGAHXNF-AHGYGFKJSA-N
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