[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 2-Acetamidoacetate
Properties
Property | Value |
---|---|
Formula | C14H19N6O9P |
IUPAC Name | [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoacetate |
Molecular Mass | 446.309 g·mol−1 |
Heat of Formation | -1696.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.30 ± 1.08 D |
Volume | 459.79 Å 3 |
Surface Area | 362.18 Å 2 |
HOMO Energy | -9.41 ± 0.55 eV |
LUMO Energy | -0.95 ± eV |
Point Group Symmetry | C1 |
InChIKey | FSBAPPUTUQBFDA-FRJWGUMJSA-O |
QR Code | Generate QR Code |
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Elements | P C H O N |