1.0 2016-09-30 22:51:12 UTC 2020-04-22 15:09:45 UTC BMDB0002098 BMDB02098 2-Fucosyllactose 2'-Fucosyllactose 2-Fucosyllactose C18H32O15 488.4377 488.174120354 (2R,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal 2-fucosyllactose 41263-94-9 C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1 HWHQUWQCBPAQQH-BWRPKUOHSA-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 Alkyl glycosides Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Fatty alcohols Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Fatty acyl Fatty acyl glycoside Fatty alcohol Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.47 ALOGPS logs -0.31 ALOGPS logp -6.1 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2R,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal 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]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C18H32O15 ChemAxon inchi InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1 ChemAxon inchikey HWHQUWQCBPAQQH-BWRPKUOHSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 100.63 ChemAxon polarizability 45.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 15 ChemAxon donor_count 10 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::MsMs 303598 Specdb::MsMs 303599 Specdb::MsMs 303600 Specdb::MsMs 346579 Specdb::MsMs 346580 Specdb::MsMs 346581 Specdb::MsMs 2407949 Specdb::MsMs 2407950 Specdb::MsMs 2407951 Specdb::MsMs 2531511 Specdb::MsMs 2531512 Specdb::MsMs 2531513 Specdb::CMs 16989 Specdb::CMs 38268 Specdb::CMs 162898 Specdb::CMs 164130 Specdb::CMs 164133 Specdb::CMs 164135 Specdb::CMs 164137 Specdb::CMs 164139 Specdb::CMs 164141 Specdb::CMs 164143 Specdb::CMs 164144 Specdb::CMs 164147 Specdb::CMs 164149 Specdb::CMs 164151 Specdb::CMs 164153 Specdb::CMs 164155 Specdb::CMs 164157 Specdb::CMs 164160 Specdb::CMs 164162 Specdb::CMs 164164 Specdb::CMs 164166 Specdb::CMs 164168 Specdb::CMs 164170 Specdb::CMs 164173 Specdb::CMs 164175 FDB112176 149055 170484 Albermann C; Piepersberg W; Wehmeier U F Synthesis of the milk oligosaccharide 2'-fucosyllactose using recombinant bacterial enzymes. Carbohydrate research (2001), 334(2), 97-103.