1.0 2010-04-08 22:14:20 UTC 2019-11-26 03:17:27 UTC FDB019398 Lacto-N-triose I Isolated from the partial acid hydrolysis of human milk. Lacto-N-triose I is found in milk and milk products. b-D-Glucopyranosyl-(1->3)-2-acetamido-2-deoxy-b-D-glucopyranosyl-(1->3)-D-galactose Lacto-N-triose I C20H35NO16 545.489 545.195584077 N-[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]acetamide N-[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]acetamide 13283-31-3 CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25) CJOPBLPCFAQCNO-UHFFFAOYSA-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. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Acetamides Carbonyl compounds Hemiacetals Hydrocarbon derivatives N-acyl-alpha-hexosamines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Oligosaccharide Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide logp -2.62 ALOGPS logs -0.26 ALOGPS solubility 3.03e+02 g/l ALOGPS melting_point Mp 202° (139-141° dec., 183-185°) logp -6.8 ChemAxon pka_strongest_acidic 11.2 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac N-[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]acetamide ChemAxon average_mass 545.489 ChemAxon mono_mass 545.195584077 ChemAxon smiles CC(=O)NC1C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O ChemAxon formula C20H35NO16 ChemAxon inchi InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25) ChemAxon inchikey CJOPBLPCFAQCNO-UHFFFAOYSA-N ChemAxon polar_surface_area 277.55 ChemAxon refractivity 111.85 ChemAxon polarizability 51.58 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 35762 Specdb::NmrOneD 35763 Specdb::NmrOneD 35764 Specdb::NmrOneD 35765 Specdb::NmrOneD 35766 Specdb::NmrOneD 35767 Specdb::NmrOneD 35768 Specdb::NmrOneD 35769 Specdb::NmrOneD 35770 Specdb::NmrOneD 35771 Specdb::NmrOneD 35772 Specdb::NmrOneD 35773 Specdb::NmrOneD 35774 Specdb::NmrOneD 35775 Specdb::NmrOneD 35776 Specdb::NmrOneD 35777 Specdb::NmrOneD 35778 Specdb::NmrOneD 35779 Specdb::NmrOneD 35780 Specdb::NmrOneD 35781 Specdb::MsMs 65754 Specdb::MsMs 65755 Specdb::MsMs 65756 Specdb::MsMs 123192 Specdb::MsMs 123193 Specdb::MsMs 123194 Specdb::MsMs 2673865 Specdb::MsMs 2673866 Specdb::MsMs 2673867 Specdb::MsMs 3032231 Specdb::MsMs 3032232 Specdb::MsMs 3032233 Specdb::CMs 9601 Specdb::CMs 46557 Specdb::CMs 281584 Specdb::CMs 292301 Specdb::CMs 292302 Specdb::CMs 292303 Specdb::CMs 292304 Specdb::CMs 292305 Specdb::CMs 292306 Specdb::CMs 292307 Specdb::CMs 292308 Specdb::CMs 292309 Specdb::CMs 292310 Specdb::CMs 292311 Specdb::CMs 292312 Specdb::CMs 292313 Specdb::CMs 292314 Specdb::CMs 292315 Specdb::CMs 292316 Specdb::CMs 292317 Specdb::CMs 292318 Specdb::CMs 292319 Specdb::CMs 292320 Specdb::CMs 292321 Specdb::CMs 292322 HMDB39750 #<Reference:0x000055ce32d1dd90> Milk and milk products Unknown generic