1.0 2016-09-30 23:24:20 UTC 2020-04-22 15:18:08 UTC BMDB0006620 BMDB06620 Fucosyllactose mono(6-Deoxy-L-galactopyranoside 4-O-beta-D-galactopyranosyl-D-glucose mono(6-Deoxy-L-galactopyranoside 4-O-beta-delta-galactopyranosyl-delta-glucose C18H32O15 488.4377 488.174120354 (2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-({[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol fucosyllactose 108795-32-0 CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 RTVRUWIBAVHRQX-PMEZUWKYSA-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 Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds Solid logp -2.70 ALOGPS logs -0.11 ALOGPS logp -5.2 ChemAxon pka_strongest_acidic 11.77 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2R,3S,4S,5S,6R)-2-{[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-({[(2R,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 488.4377 ChemAxon mono_mass 488.174120354 ChemAxon smiles CO[C@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ChemAxon formula C18H32O15 ChemAxon inchi InChI=1S/C18H32O15/c1-28-16-14(27)15(33-18-13(26)11(24)9(22)6(2-19)31-18)10(23)7(32-16)4-30-17-12(25)8(21)5(20)3-29-17/h5-27H,2-4H2,1H3/t5-,6-,7-,8+,9-,10-,11+,12+,13+,14+,15+,16+,17-,18-/m1/s1 ChemAxon inchikey RTVRUWIBAVHRQX-PMEZUWKYSA-N ChemAxon polar_surface_area 237.45 ChemAxon refractivity 99.54 ChemAxon polarizability 46.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 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 16589 Specdb::CMs 39056 Specdb::CMs 132721 Specdb::CMs 140455 Specdb::CMs 164334 Specdb::CMs 280467 Specdb::MsMs 302647 Specdb::MsMs 302648 Specdb::MsMs 302649 Specdb::MsMs 345424 Specdb::MsMs 345425 Specdb::MsMs 345426 Specdb::MsMs 3058585 Specdb::MsMs 3058586 Specdb::MsMs 3058587 Specdb::MsMs 3108134 Specdb::MsMs 3108135 Specdb::MsMs 3108136 Specdb::NmrOneD 88292 Specdb::NmrOneD 88293 Specdb::NmrOneD 88294 Specdb::NmrOneD 88295 Specdb::NmrOneD 88296 Specdb::NmrOneD 88297 Specdb::NmrOneD 88298 Specdb::NmrOneD 88299 Specdb::NmrOneD 88300 Specdb::NmrOneD 88301 Specdb::NmrOneD 88302 Specdb::NmrOneD 88303 Specdb::NmrOneD 88304 Specdb::NmrOneD 88305 Specdb::NmrOneD 88306 Specdb::NmrOneD 88307 Specdb::NmrOneD 88308 Specdb::NmrOneD 88309 Specdb::NmrOneD 88310 Specdb::NmrOneD 88311 10396175 21771334 FDB024009 Paoletti, Sergio; Vetere, Amedeo. Transglycolytic synthesis of branched oligosaccharides. PCT Int. Appl. (1998), 22 pp. CODEN: PIXXD2 WO 9840512 A2 19980917 CAN 129:259391 AN 1998:621334