Showing Metabocard for tetradecanedioate (BASm0005837)
| Common Name | Tetradecanedioate |
|---|---|
| Description | Tetradecanedioic acid, also known as 1,14-tetradecanedioate or NSC 9504, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Tetradecanedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. |
| Structure | |
| Molecular Formula | C14H26O4 |
| Average Mass | 258.35380 |
| Monoisotopic Mass | 258.18311 |
| IUPAC Name | tetradecanedioic acid |
| Traditional Name | Tetradecanedioic acid |
| CAS Registry Number | 821-38-5 |
| SMILES | O=C([O-])CCCCCCCCCCCCC(=O)[O-] |
| InChI Identifier | InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) |
| InChI Key | HQHCYKULIHKCEB-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:76281 |
| HMDB ID | HMDB0000872 |
| State | Solid |
| Water Solubility | 3.61e-02 g/l |
| logP | 3.63 |
| logS | -3.85 |
| pKa (Strongest Acidic) | 4.65 |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 74.6 Ų |
| Rotatable Bond Count | 13 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 69.55 m³·mol⁻¹ |
| Polarizability | 31.11 |