1.0 2016-09-30 23:23:44 UTC 2020-04-22 15:17:58 UTC BMDB0006587 BMDB06587 Lactodifucotetraose O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucopyranose (8CL) O-6-Deoxy-alpha-L-galactopyranosyl-(1->2)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucopyranose (8CL) O-alpha-L-Fucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->4)-O-[alpha-L-fucopyranosyl-(1->3)]-glucopyranose (7ci) O-alpha-L-Fucopyranosyl-(1->2)-O-beta-delta-galactopyranosyl-(1->4)-O-[alpha-L-fucopyranosyl-(1->3)]-glucopyranose (7ci) 3,2'-Difucosyllactose 3,2'-DL C24H42O19 634.5789 634.232029162 (2R,3S,4R,5R)-2-{[(2R,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}-4,5,6-trihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal lactodifucotetraose 20768-11-0 C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1 BRHHWBDLMUBZQQ-JZEMXWCPSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Aldehydes Alkyl glycosides Disaccharides 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 Carbonyl group Disaccharide Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.03 ALOGPS logs -0.73 ALOGPS logp -6.8 ChemAxon pka_strongest_acidic 11.66 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R,3S,4R,5R)-2-{[(2R,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}-4,5,6-trihydroxy-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexanal ChemAxon average_mass 634.5789 ChemAxon mono_mass 634.232029162 ChemAxon smiles C[C@@H]1O[C@@H](O[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C=O)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C24H42O19 ChemAxon inchi InChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1 ChemAxon inchikey BRHHWBDLMUBZQQ-JZEMXWCPSA-N ChemAxon polar_surface_area 315.21 ChemAxon refractivity 131.5 ChemAxon polarizability 59.58 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 19 ChemAxon donor_count 12 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::MsMs 301546 Specdb::MsMs 301547 Specdb::MsMs 301548 Specdb::MsMs 344083 Specdb::MsMs 344084 Specdb::MsMs 344085 Specdb::MsMs 2368572 Specdb::MsMs 2368573 Specdb::MsMs 2368574 Specdb::MsMs 2566418 Specdb::MsMs 2566419 Specdb::MsMs 2566420 Specdb::CMs 16048 Specdb::CMs 591671 Specdb::CMs 591672 Specdb::CMs 591673 Specdb::CMs 591674 Specdb::CMs 591675 Specdb::CMs 591676 Specdb::CMs 591677 Specdb::CMs 591678 Specdb::CMs 591679 Specdb::CMs 591680 Specdb::CMs 591681 Specdb::CMs 591682 Specdb::CMs 591683 Specdb::CMs 591684 Specdb::CMs 591685 Specdb::CMs 591686 Specdb::CMs 591687 Specdb::CMs 591688 Specdb::CMs 591689 Specdb::CMs 591690 Specdb::CMs 591691 Specdb::CMs 591692 Specdb::CMs 591693 Specdb::CMs 591694 Specdb::NmrOneD 81172 Specdb::NmrOneD 81173 Specdb::NmrOneD 81174 Specdb::NmrOneD 81175 Specdb::NmrOneD 81176 Specdb::NmrOneD 81177 Specdb::NmrOneD 81178 Specdb::NmrOneD 81179 Specdb::NmrOneD 81180 Specdb::NmrOneD 81181 Specdb::NmrOneD 81182 Specdb::NmrOneD 81183 Specdb::NmrOneD 81184 Specdb::NmrOneD 81185 Specdb::NmrOneD 81186 Specdb::NmrOneD 81187 Specdb::NmrOneD 81188 Specdb::NmrOneD 81189 Specdb::NmrOneD 81190 Specdb::NmrOneD 81191 3082169 2339636 FDB023987 89917 Takeo, Kenichi; Tei, Saimei. Synthesis of lactodifucotetraose. Carbohydrate Research (1985), 141(1), 159-64.