[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H15N5O9P2 |
IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate |
Molecular Mass | 411.202 g·mol−1 |
Heat of Formation | -2029.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.30 ± 1.08 D |
Volume | 400.37 Å 3 |
Surface Area | 339.29 Å 2 |
HOMO Energy | -9.14 ± 0.55 eV |
LUMO Energy | 2.41 ± eV |
Point Group Symmetry | C1 |
InChIKey | NOKRXWPKZWQDIA-RRKCRQDMSA-O |
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Elements | P C H O N |