Showing Metabocard for D-sorbitol 6-phosphate (BASm0003944)
| Common Name | D-sorbitol 6-phosphate |
|---|---|
| Description | Sorbitol 6-phosphate (Sor6P) is an intermediate in sorbitol biosynthesis. It is a competitive inhibitor for both cytosolic and chloroplastic PGIs with a K(i) of 61 and 40muM, respectively. PMID: 18242768 . |
| Structure | |
| Molecular Formula | C6H15O9P |
| Average Mass | 262.15170 |
| Monoisotopic Mass | 262.04537 |
| IUPAC Name | [(2,3,4,5,6-pentahydroxyhexyl)oxy]phosphonic acid |
| Traditional Name | (2,3,4,5,6-pentahydroxyhexyl)oxyphosphonic acid |
| CAS Registry Number | 20479-58-7 |
| SMILES | O=P([O-])([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO |
| InChI Identifier | InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14) |
| InChI Key | GACTWZZMVMUKNG-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:60084 |
| HMDB ID | HMDB0005831 |
| State | Solid |
| Water Solubility | 2.66e+01 g/l |
| logP | -2.32 |
| logS | -0.99 |
| pKa (Strongest Acidic) | 1.49 |
| pKa (Strongest Basic) | -2.97 |
| Hydrogen Acceptor Count | 8 |
| Hydrogen Donor Count | 7 |
| Polar Surface Area | 167.91 Ų |
| Rotatable Bond Count | 7 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 49.28 m³·mol⁻¹ |
| Polarizability | 21.73 |