1.0 2018-06-25 21:47:07 UTC 2020-04-22 15:51:17 UTC BMDB0062054 BMDB62054 beta-Lactose Beta-Lactose, also known as galbeta1-4glcbeta or b-D-lactose, 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. Beta-Lactose exists as a solid, possibly soluble (in water), and an extremely weak basic (essentially neutral) compound (based on its pKa) molecule. 4-O-beta-D-Galactopyranosyl-beta-D-glucopyranose beta-D-Galactopyranosyl-(1->4)-beta-D-glucose beta-D-Galp-(1->4)-beta-D-GLCP beta-D-Lactose Galb1-4GLCB Galbeta1-4glcbeta LACTOSE WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5]/1-2/a4-b1 4-O-b-D-Galactopyranosyl-b-D-glucopyranose 4-O-Β-D-galactopyranosyl-β-D-glucopyranose b-D-Galactopyranosyl-(1->4)-b-D-glucose Β-D-galactopyranosyl-(1->4)-β-D-glucose b-D-Galp-(1->4)-b-D-GLCP Β-D-galp-(1->4)-β-D-GLCP b-D-Lactose Β-D-lactose b-Lactose Β-lactose beta-D-Galactopyranosyl-(1->4)-beta-D-glucopyranose Anhydrous lactose Lactose, anhydrous C12H22O11 342.2965 342.116211546 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol β-D-lactose 5965-66-2 [H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O 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-DCSYEGIMSA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl 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 Aliphatic heteromonocyclic compounds lactose logp -3.01 ALOGPS logs 0.23 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,6R)-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 [H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O 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-DCSYEGIMSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 30.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 48722 Specdb::NmrOneD 48723 Specdb::NmrOneD 48724 Specdb::NmrOneD 48725 Specdb::NmrOneD 48726 Specdb::NmrOneD 48727 Specdb::NmrOneD 48728 Specdb::NmrOneD 48729 Specdb::NmrOneD 48730 Specdb::NmrOneD 48731 Specdb::NmrOneD 48732 Specdb::NmrOneD 48733 Specdb::NmrOneD 48734 Specdb::NmrOneD 48735 Specdb::NmrOneD 48736 Specdb::NmrOneD 48737 Specdb::NmrOneD 48738 Specdb::NmrOneD 48739 Specdb::NmrOneD 48740 Specdb::NmrOneD 48741 Specdb::CMs 2064 Specdb::CMs 2074 Specdb::CMs 12161 Specdb::CMs 47416 Specdb::CMs 148742 Specdb::CMs 148744 Specdb::CMs 148746 Specdb::CMs 148748 Specdb::CMs 148750 Specdb::CMs 148752 Specdb::CMs 148754 Specdb::CMs 148757 Specdb::CMs 148759 Specdb::CMs 167824 Specdb::CMs 279680 Specdb::MsMs 292753 Specdb::MsMs 292754 Specdb::MsMs 292755 Specdb::MsMs 333046 Specdb::MsMs 333047 Specdb::MsMs 333048 Specdb::MsMs 2236298 Specdb::MsMs 2237107 Specdb::MsMs 2238355 Specdb::MsMs 2239205 Specdb::MsMs 2240373 Specdb::MsMs 2241345 Specdb::MsMs 2242472 Specdb::MsMs 2243367 Specdb::MsMs 2250779 Specdb::MsMs 2732976 Specdb::MsMs 2732977 Specdb::MsMs 2732978 Specdb::MsMs 2972532 Specdb::MsMs 2972533 Specdb::MsMs 2972534 Milk Raw milk, by NMR and GC-MS Klein MS, Almstetter MF, Schlamberger G, Nurnberger N, Dettmer K, Oefner PJ, Meyer HH, Wiedemann S, Gronwald W: Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. J Dairy Sci. 2010 Apr;93(4):1539-50. doi: 10.3168/jds.2009-2563. 20338431 Milk Scano P, Murgia A, Pirisi FM, Caboni P: A gas chromatography-mass spectrometry-based metabolomic approach for the characterization of goat milk compared with cow milk. J Dairy Sci. 2014 Oct;97(10):6057-66. doi: 10.3168/jds.2014-8247. Epub 2014 Aug 6. 25108860 FDB021790 5904 6134 C01970 36218 CPD-15971 Lactose LAT Klein MS, Almstetter MF, Schlamberger G, Nurnberger N, Dettmer K, Oefner PJ, Meyer HH, Wiedemann S, Gronwald W: Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. J Dairy Sci. 2010 Apr;93(4):1539-50. doi: 10.3168/jds.2009-2563. 20338431 Scano P, Murgia A, Pirisi FM, Caboni P: A gas chromatography-mass spectrometry-based metabolomic approach for the characterization of goat milk compared with cow milk. J Dairy Sci. 2014 Oct;97(10):6057-66. doi: 10.3168/jds.2014-8247. Epub 2014 Aug 6. 25108860