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

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Properties Simple | Detailed

Formula C15H24N5O17P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-3,4-dihydroxy-5-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 639.296 g·mol−1
Heat of Formation -3747.4 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 618.63 Å 3
Surface Area 435.12 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey CUNFRFHBHMFVPH-KEOHHSTQSA-N
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