Showing Metabocard for 1-docosanoylglycerol (BASm0009928)
| Common Name | 1-docosanoylglycerol |
|---|---|
| Description | Glyceryl behenate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") |
| Structure | |
| Molecular Formula | C25H50O4 |
| Average Mass | 414.66210 |
| Monoisotopic Mass | 414.37091 |
| IUPAC Name | 2,3-dihydroxypropyl docosanoate |
| Traditional Name | Glyceryl behenate |
| CAS Registry Number | 77538-19-3 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO |
| InChI Identifier | InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3 |
| InChI Key | OKMWKBLSFKFYGZ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:142497 |
| HMDB ID | HMDB0032296 |
| State | Not Available |
| Water Solubility | 1.67e-04 g/l |
| logP | 8.39 |
| logS | -6.39 |
| pKa (Strongest Acidic) | 13.62 |
| pKa (Strongest Basic) | -2.97 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 66.76 Ų |
| Rotatable Bond Count | 24 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 121.71 m³·mol⁻¹ |
| Polarizability | 55.00 |