(2S)-2-[[9-[(2S,5R)-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Purine-1,3,7-Triium-6-Yl]Amino]Butanedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C14H18N5O9P |
| IUPAC Name | (2s)-2-[[9-[(2s,5r)-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]butanedioic acid |
| Molecular Mass | 431.295 g·mol−1 |
| Heat of Formation | -1720.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.66 ± 1.08 D |
| Volume | 449.12 Å 3 |
| Surface Area | 382.26 Å 2 |
| HOMO Energy | -9.08 ± 0.55 eV |
| LUMO Energy | -0.89 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CEGJZIJKCKFCNK-VGMNWLOBSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |