1.0 2010-04-08 22:06:13 UTC 2025-11-18 22:56:06 UTC FDB004401 2-O-(beta-L-Arabinopyranosyl)-myoinositol 2-o-(beta-l-arabinopyranosyl)-myoinositol is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-o-(beta-l-arabinopyranosyl)-myoinositol is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-(beta-l-arabinopyranosyl)-myoinositol can be found in tea, which makes 2-o-(beta-l-arabinopyranosyl)-myoinositol a potential biomarker for the consumption of this food product. C11H20O10 312.2705 312.10564686 (1R,2S,3s,4R,5S,6s)-6-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol (1R,2S,3s,4R,5S,6s)-6-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol O[C@H]1CO[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O InChI=1S/C11H20O10/c12-2-1-20-11(9(19)3(2)13)21-10-7(17)5(15)4(14)6(16)8(10)18/h2-19H,1H2/t2-,3-,4-,5-,6+,7+,8-,9+,10+,11+/m0/s1 ZTUXXEBTGKCWOB-WUIKSKAOSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Cyclitols and derivatives Cyclohexanols Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -2.49 ALOGPS logs 0.18 ALOGPS solubility 4.68e+02 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (1R,2S,3s,4R,5S,6s)-6-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol ChemAxon average_mass 312.2705 ChemAxon mono_mass 312.10564686 ChemAxon smiles O[C@H]1CO[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ChemAxon formula C11H20O10 ChemAxon inchi InChI=1S/C11H20O10/c12-2-1-20-11(9(19)3(2)13)21-10-7(17)5(15)4(14)6(16)8(10)18/h2-19H,1H2/t2-,3-,4-,5-,6+,7+,8-,9+,10+,11+/m0/s1 ChemAxon inchikey ZTUXXEBTGKCWOB-WUIKSKAOSA-N ChemAxon polar_surface_area 180.3 ChemAxon refractivity 62.23 ChemAxon polarizability 28.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52635 Specdb::MsMs 52636 Specdb::MsMs 52637 Specdb::MsMs 159681 Specdb::MsMs 159682 Specdb::MsMs 159683 Specdb::MsMs 3220939 Specdb::MsMs 3220940 Specdb::MsMs 3220941 Specdb::MsMs 3600422 Specdb::MsMs 3600423 Specdb::MsMs 3600424 Black tea Type 1 400.0 400.0 400.0 mg/100 g Green tea Type 1 400.0 400.0 400.0 mg/100 g Herbal tea Type 1 400.0 400.0 400.0 mg/100 g Red tea Type 1 400.0 400.0 400.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 400.0 400.0 400.0 mg/100 g