(2S)-3-[(Hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-Tetrahydroxy-5-(Phosphonooxy)Cyclohexyl]Oxy}Phosphoryl)Oxy]-1,2-Propanediyl Dibutanoate
Properties
| Property | Value |
|---|---|
| Formula | C17H32O16P2 |
| IUPAC Name | [(2r)-2-butanoyloxy-3-[hydroxy-[(1r,2r,3r,4r,5s,6r)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] butanoate |
| Molecular Mass | 554.374 g·mol−1 |
| Heat of Formation | -3672.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.00 ± 1.08 D |
| Volume | 595.71 Å 3 |
| Surface Area | 515.9 Å 2 |
| HOMO Energy | -10.06 ± 0.55 eV |
| LUMO Energy | -0.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NKJZZWLREOAJGO-FBVWBLDGSA-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 |