1.0 2011-04-08 16:49:06 UTC 2025-11-19 02:39:39 UTC FDB021789 alpha-Lactose Alpha-pyranose form of the compound lactose [CCD] 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose alpha-Lactose beta-D-Galactopyranosyl-(1->4)-alpha-D-glucopyranose beta-D-Galactopyranosyl-(1->4)-alpha-D-glucose C12H22O11 342.2965 342.116211546 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol α-lactose 14641-93-1 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 GUBGYTABKSRVRQ-XLOQQCSPSA-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 Disaccharides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol lactose logp -3.01 ALOGPS logs 0.23 ALOGPS solubility 5.86e+02 g/l ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 ChemAxon inchikey GUBGYTABKSRVRQ-XLOQQCSPSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 30.92 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 986 Specdb::NmrTwoD 1192 Specdb::CMs 426 Specdb::CMs 427 Specdb::CMs 428 Specdb::CMs 23173 Specdb::CMs 37343 Specdb::CMs 148314 Specdb::CMs 148316 Specdb::CMs 148318 Specdb::CMs 148320 Specdb::CMs 148322 Specdb::CMs 148324 Specdb::CMs 148327 Specdb::CMs 148328 Specdb::CMs 148331 Specdb::CMs 164052 Specdb::CMs 279669 Specdb::CMs 1052873 Specdb::CMs 1052875 Specdb::CMs 1052877 Specdb::CMs 1052878 Specdb::CMs 1052881 Specdb::CMs 1052883 Specdb::CMs 1052884 Specdb::CMs 1052886 Specdb::CMs 1052888 Specdb::NmrOneD 1154 Specdb::NmrOneD 1196 Specdb::NmrOneD 6052 Specdb::NmrOneD 6053 Specdb::NmrOneD 6054 Specdb::NmrOneD 6055 Specdb::NmrOneD 6056 Specdb::NmrOneD 6057 Specdb::NmrOneD 6058 Specdb::NmrOneD 6059 Specdb::NmrOneD 6060 Specdb::NmrOneD 6061 Specdb::NmrOneD 6062 Specdb::NmrOneD 6063 Specdb::NmrOneD 6064 Specdb::NmrOneD 6065 Specdb::NmrOneD 6066 Specdb::NmrOneD 6067 Specdb::NmrOneD 6068 Specdb::NmrOneD 6069 Specdb::NmrOneD 6070 Specdb::NmrOneD 6071 Specdb::NmrOneD 166517 Specdb::MsMs 292 Specdb::MsMs 293 Specdb::MsMs 294 Specdb::MsMs 317407 Specdb::MsMs 317408 Specdb::MsMs 317409 Specdb::MsMs 363868 Specdb::MsMs 363869 Specdb::MsMs 363870 Specdb::MsMs 2729182 Specdb::MsMs 2729183 Specdb::MsMs 2729184 Specdb::MsMs 2980160 Specdb::MsMs 2980161 Specdb::MsMs 2980162 HMDB0000186 36219 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Cow milk, pasteurized, vitamin A + D added, 0% fat Type 2 specific Cow milk, pasteurized, vitamin A + D added, 1% fat Type 2 specific Cow milk, pasteurized, vitamin A + D added, 2% fat Type 2 specific Cow milk, pasteurized, vitamin D added, 3.25% fat Type 2 specific Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific 125582.615067 145780.0474 18.989 uM Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823