(2R)-3-[(Hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-Tetrahydroxy-4-(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl)Oxy]-1,2-Propanediyl Dioctanoate
Properties
| Property | Value |
|---|---|
| Formula | C25H48O16P2 |
| IUPAC Name | [(2r)-3-[hydroxy-[(2r,3r,5s,6r)-2,3,5,6-tetrahydroxy-4-phosphonooxy-cyclohexoxy]phosphoryl]oxy-2-octanoyloxy-propyl] octanoate |
| Molecular Mass | 666.587 g·mol−1 |
| Heat of Formation | -3837.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.86 ± 1.08 D |
| Volume | 765.96 Å 3 |
| Surface Area | 677.87 Å 2 |
| HOMO Energy | -10.13 ± 0.55 eV |
| LUMO Energy | -0.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SNIQYSSXZJPPEL-LKTRINTESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C O H |