1.0 2016-09-30 22:52:50 UTC 2020-04-22 15:10:15 UTC BMDB0002220 BMDB02220 N-Acetyl-6-O-L-fucosyl-D-glucosamine N-[(2R,3R,4S,5S)-3,4,5-Trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidate C14H25NO10 367.351 367.147846009 N-[(2R,3R,4S,5S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidic acid N-[(2R,3R,4S,5S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidic acid [H][C@](O)(COC1([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(C=O)N=C(C)O InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8-,9+,10+,11+,12+,13-,14?/m0/s1 YBWAUUBLHOFOPK-RQKHFBPKSA-N Solid logp -1.95 ALOGPS logs -0.87 ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 5.57 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac N-[(2R,3R,4S,5S)-3,4,5-trihydroxy-1-oxo-6-{[(3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]ethanimidic acid ChemAxon average_mass 367.351 ChemAxon mono_mass 367.147846009 ChemAxon smiles [H][C@](O)(COC1([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O)[C@@]([H])(O)[C@]([H])(O)[C@]([H])(C=O)N=C(C)O ChemAxon formula C14H25NO10 ChemAxon inchi InChI=1S/C14H25NO10/c1-5-9(19)12(22)13(23)14(25-5)24-4-8(18)11(21)10(20)7(3-16)15-6(2)17/h3,5,7-14,18-23H,4H2,1-2H3,(H,15,17)/t5-,7-,8-,9+,10+,11+,12+,13-,14?/m0/s1 ChemAxon inchikey YBWAUUBLHOFOPK-RQKHFBPKSA-N ChemAxon polar_surface_area 189.5 ChemAxon refractivity 79.84 ChemAxon polarizability 35.25 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1222765 Specdb::MsMs 1222766 Specdb::MsMs 1222767 Specdb::MsMs 1338406 Specdb::MsMs 1338407 Specdb::MsMs 1338408