2-Amino-8-[(2S,3R)-2,3,4-Trihydroxybutyl]-3,7-Dihydropurine-1,9-Diium-5-Id-6-One
Properties
| Property | Value |
|---|---|
| Formula | C9H20N5O4+ |
| IUPAC Name | (2s,4r,5s,8r)-2-amino-8-[(2s,3r)-2,3,4-trihydroxybutyl]-1,2,3,4,5,7,8,9-octahydropurin-3-ium-6-one |
| Molecular Mass | 262.286 g·mol−1 |
| Heat of Formation | -506.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.93 ± 1.08 D |
| Volume | 278.63 Å 3 |
| Surface Area | 264.28 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | 2.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HFMVAVCCEQPDEF-WMAHGQLOSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |