[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (3,4-Dihydroxy-5-Phenyltetrahydro-2-Furanyl)Methyl Dihydrogen Diphosphate

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Formula C21H27N5O13P2
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,5s)-3,4-dihydroxy-5-phenyl-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 619.412 g·mol−1
Heat of Formation -2570.8 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 647.41 Å 3
Surface Area 534.52 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey KFGSYRXPFCYJJR-OBELPRQYSA-N
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