[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-[[Hydroxy(Phosphonooxy)Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 4-(4-Azido-2-Nitro-Anilino)Butanoate
Properties
Property | Value |
---|---|
Formula | C20H25N10O13P2 |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-(4-azido-2-nitro-anilino)butanoate |
Molecular Mass | 675.419 g·mol−1 |
Heat of Formation | -1974.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.33 ± 1.08 D |
Volume | 698.9 Å 3 |
Surface Area | 496.21 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | -1.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | HCZJRWAPXMSLKM-AEVYOOLXSA-O |
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Elements | P C H O N |