Showing Metabocard for 3-dehydro-L-gulonate 6-phosphate (BASm0003703)
| Common Name | 3-dehydro-l-gulonate 6-phosphate |
|---|---|
| Description | 3-dehydro-L-gulonate 6-phosphate is a member of the chemical class known as Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. |
| Structure | |
| Molecular Formula | C6H11O10P |
| Average Mass | 274.11930 |
| Monoisotopic Mass | 274.00898 |
| IUPAC Name | (2S,4R,5S)-2,4,5-trihydroxy-3-oxo-6-(phosphonooxy)hexanoic acid |
| Traditional Name | (2s,4r,5s)-2,4,5-trihydroxy-3-oxo-6-(phosphonooxy)hexanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])[C@@H](O)C(=O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,5-/m0/s1 |
| InChI Key | BDUIIKXSXFDPEC-LWKDLAHASA-N |
| CHEBI ID | CHEBI:58774 |
| State | Not Available |
| Water Solubility | 1.64e+01 g/l |
| logP | -2.13 |
| logS | -1.22 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 9 |
| Hydrogen Donor Count | 6 |
| Polar Surface Area | 181.82 Ų |
| Rotatable Bond Count | 7 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 48.45 m³·mol⁻¹ |
| Polarizability | 20.67 |