[(3S)-3-Amino-3-Carboxypropyl]{[(2S,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl}(Carboxymethyl)Sulfonium
Properties
| Property | Value |
|---|---|
| Formula | C16H23N6O7S+ |
| IUPAC Name | [(3s)-3-amino-3-carboxy-propyl]-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-(carboxymethyl)sulfonium |
| Molecular Mass | 443.455 g·mol−1 |
| Heat of Formation | 810.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.55 ± 1.08 D |
| Volume | 459.55 Å 3 |
| Surface Area | 411.46 Å 2 |
| HOMO Energy | -9.78 ± 0.55 eV |
| LUMO Energy | -1.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VFFTYSZNZJBRBG-HEOPWLPUSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S C O N |