1-(1-Hydroxybutoxy)-3-[(Hydroxy{[2,4,6-Trihydroxy-3,5-Bis(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl)Oxy]-2-Propanyl Butyrate
Properties
| Property | Value |
|---|---|
| Formula | C17H35O19P3 |
| IUPAC Name | [(1r)-1-[[(1r)-1-hydroxybutoxy]methyl]-2-[hydroxy-[(2r,3r,5s,6r)-2,4,6-trihydroxy-3,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-ethyl] butanoate |
| Molecular Mass | 636.370 g·mol−1 |
| Heat of Formation | -4582.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.04 ± 1.08 D |
| Volume | 664.31 Å 3 |
| Surface Area | 559.76 Å 2 |
| HOMO Energy | -10.03 ± 0.55 eV |
| LUMO Energy | -0.60 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SEWBGVDZVBOXHU-UUUSMJOXSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O H |