2'-Deoxy-2'-(2-Hydroxyethyl)Adenosine 5'-(Trihydrogen Diphosphate)

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Formula C12H19N5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-(2-hydroxyethyl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 455.254 g·mol−1
Heat of Formation -2246.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 449.14 Å 3
Surface Area 355.19 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
InChIKey RHTGRZKDKXTTPI-PNFUHCLESA-N
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