(2R)-3-{[(S)-Hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-Trihydroxy-4,5-Bis(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl]Oxy}-1,2-Propanediyl Dibutanoate
Properties
| Property | Value |
|---|---|
| Formula | C17H33O19P3 |
| IUPAC Name | [(2r)-2-butanoyloxy-3-[hydroxy-[(1s,2r,3r,4s,5s,6s)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] butanoate |
| Molecular Mass | 634.354 g·mol−1 |
| Heat of Formation | -4529.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.28 ± 1.08 D |
| Volume | 660.71 Å 3 |
| Surface Area | 554.16 Å 2 |
| HOMO Energy | -9.85 ± 0.55 eV |
| LUMO Energy | -0.86 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DHAFWWKSHUBGAH-DXOPXGNRSA-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 |