[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-2-[[Hydroxy-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Phosphono Hydrogen Phosphate
Properties
Property | Value |
---|---|
Formula | C10H18N5O18P5 |
IUPAC Name | [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate |
Molecular Mass | 651.141 g·mol−1 |
Heat of Formation | -4614.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.76 ± 1.08 D |
Volume | 595.68 Å 3 |
Surface Area | 452.69 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -1.80 ± eV |
Point Group Symmetry | C1 |
InChIKey | KALNULYICOWUDE-RRKCRQDMSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |