1.0 2016-09-30 22:51:08 UTC 2020-04-22 15:09:44 UTC BMDB0002094 BMDB02094 3-Fucosyllactose 3-O-Fucosyllactose 3'-Fucosyllactose O-6-Deoxy-a-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]- D-glucose O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[b-D-galactopyranosyl-(1->4)]- D-glucose O-6-Deoxy-alpha-L-galactopyranosyl-(1->3)-O-[b-delta-galactopyranosyl-(1->4)]- D-glucose C18H32O15 488.4377 488.174120354 (2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol 3-fucosyllactose 41312-47-4 C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1 AUNPEJDACLEKSC-ZAYDSPBTSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Oligosaccharides Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.41 ALOGPS logs -0.09 ALOGPS logp -5.4 ChemAxon pka_strongest_acidic 11.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2S,3S,4R,5S,6S)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 488.4377 ChemAxon mono_mass 488.174120354 ChemAxon smiles C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C18H32O15 ChemAxon inchi InChI=1S/C18H32O15/c1-4-7(21)9(23)12(26)17(29-4)33-15-8(22)5(2-19)31-18(13(15)27)32-14-6(3-20)30-16(28)11(25)10(14)24/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10+,11+,12-,13+,14+,15-,16?,17-,18-/m0/s1 ChemAxon inchikey AUNPEJDACLEKSC-ZAYDSPBTSA-N ChemAxon polar_surface_area 248.45 ChemAxon refractivity 99.21 ChemAxon polarizability 46.19 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21304 Specdb::CMs 38264 Specdb::CMs 157959 Specdb::MsMs 313381 Specdb::MsMs 313382 Specdb::MsMs 313383 Specdb::MsMs 358867 Specdb::MsMs 358868 Specdb::MsMs 358869 Specdb::MsMs 2717799 Specdb::MsMs 2717800 Specdb::MsMs 2717801 Specdb::MsMs 2963694 Specdb::MsMs 2963695 Specdb::MsMs 2963696 Specdb::NmrOneD 109358 Specdb::NmrOneD 109359 Specdb::NmrOneD 109360 Specdb::NmrOneD 109361 Specdb::NmrOneD 109362 Specdb::NmrOneD 109363 Specdb::NmrOneD 109364 Specdb::NmrOneD 109365 Specdb::NmrOneD 109366 Specdb::NmrOneD 109367 Specdb::NmrOneD 109368 Specdb::NmrOneD 109369 Specdb::NmrOneD 109370 Specdb::NmrOneD 109371 Specdb::NmrOneD 109372 Specdb::NmrOneD 109373 Specdb::NmrOneD 109374 Specdb::NmrOneD 109375 Specdb::NmrOneD 109376 Specdb::NmrOneD 109377 FDB022842 141824 161460 90065