(2R)-3-[(Hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl)Oxy]Propane-1,2-Diyl Dioctanoate
Properties
| Property | Value |
|---|---|
| Formula | C25H49O19P3 |
| IUPAC Name | [(2r)-3-[hydroxy-[(1r,2s,3r,4r,5s,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate |
| Molecular Mass | 746.566 g·mol−1 |
| Heat of Formation | -4769.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.38 ± 1.08 D |
| Volume | 821.6 Å 3 |
| Surface Area | 701.35 Å 2 |
| HOMO Energy | -10.16 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XLNCEHRXXWQMPK-KWIFDMFUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O H |