1.0 2010-04-08 22:06:44 UTC 2025-11-18 22:59:29 UTC FDB005566 Galactopinitol Galactopinitol a 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. Galactopinitol a is soluble (in water) and a very weakly acidic compound (based on its pKa). Galactopinitol a can be found in pulses and soy bean, which makes galactopinitol a a potential biomarker for the consumption of these food products. C13H24O11 356.3231 356.13186161 (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol 64290-91-1 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1 WFSVEMFCPALUBB-GDYURJOXSA-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 Dialkyl ethers Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl ether Ether Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.38 ALOGPS logs 0.15 ALOGPS solubility 5.03e+02 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12.01 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol ChemAxon average_mass 356.3231 ChemAxon mono_mass 356.13186161 ChemAxon smiles CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C13H24O11 ChemAxon inchi InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13-/m1/s1 ChemAxon inchikey WFSVEMFCPALUBB-GDYURJOXSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 72.94 ChemAxon polarizability 33.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16815 Specdb::CMs 46423 Specdb::CMs 149746 Specdb::NmrOneD 33222 Specdb::NmrOneD 33223 Specdb::NmrOneD 33224 Specdb::NmrOneD 33225 Specdb::NmrOneD 33226 Specdb::NmrOneD 33227 Specdb::NmrOneD 33228 Specdb::NmrOneD 33229 Specdb::NmrOneD 33230 Specdb::NmrOneD 33231 Specdb::NmrOneD 33232 Specdb::NmrOneD 33233 Specdb::NmrOneD 33234 Specdb::NmrOneD 33235 Specdb::NmrOneD 33236 Specdb::NmrOneD 33237 Specdb::NmrOneD 33238 Specdb::NmrOneD 33239 Specdb::NmrOneD 33240 Specdb::NmrOneD 33241 Specdb::MsMs 98727 Specdb::MsMs 98728 Specdb::MsMs 98729 Specdb::MsMs 163707 Specdb::MsMs 163708 Specdb::MsMs 163709 Specdb::MsMs 2806352 Specdb::MsMs 2806353 Specdb::MsMs 2806354 Specdb::MsMs 2875910 Specdb::MsMs 2875911 Specdb::MsMs 2875912 HMDB0039475 Soy bean Type 1 specific Glycine max 3847