[(2R,3R,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-(Sulfomethyl)Phosphinic Acid
Properties
Property | Value |
---|---|
Formula | C11H19N5O12P2S |
IUPAC Name | [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-(sulfomethyl)phosphinic acid |
Molecular Mass | 507.307 g·mol−1 |
Heat of Formation | -2447.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.19 ± 1.08 D |
Volume | 483.17 Å 3 |
Surface Area | 406.82 Å 2 |
HOMO Energy | -9.40 ± 0.55 eV |
LUMO Energy | -0.88 ± eV |
Point Group Symmetry | C1 |
InChIKey | GUKJYZQZYDQPHG-IOSLPCCCSA-O |
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Elements | C H O N P S |