Showing Metabocard for L-iditol (BASm0001211)
| Common Name | L-iditol |
|---|---|
| Description | L-Iditol, also known as L-idit or D-dulcitol, belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. L-Iditol exists in all living species, ranging from bacteria to humans. L-Iditol has been detected, but not quantified, in several different foods, such as saffrons, adzuki beans, custard apples, pepper (c. frutescens), and boysenberries. This could make L-iditol a potential biomarker for the consumption of these foods. |
| Structure | |
| Molecular Formula | C6H14O6 |
| Average Mass | 182.17180 |
| Monoisotopic Mass | 182.07904 |
| IUPAC Name | (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol |
| Traditional Name | L-iditol |
| CAS Registry Number | 488-45-9 |
| SMILES | OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO |
| InChI Identifier | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1 |
| InChI Key | FBPFZTCFMRRESA-UNTFVMJOSA-N |
| CHEBI ID | CHEBI:18202 |
| HMDB ID | HMDB0011632 |
| State | Not Available |
| Water Solubility | 2.29e+02 g/l |
| logP | -2.68 |
| logS | 0.10 |
| pKa (Strongest Acidic) | 12.59 |
| pKa (Strongest Basic) | -2.97 |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 6 |
| Polar Surface Area | 121.38 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 38.40 m³·mol⁻¹ |
| Polarizability | 17.14 |