1.0 2016-09-30 23:23:08 UTC 2020-04-22 15:17:46 UTC BMDB0006535 BMDB0095940 BMDB06535 BMDB95940 beta-1,4-Mannosyl-N-acetylglucosamine 2-Acetamido-2-deoxy-4-O-beta-D-mannopyranosyl-beta-D-glucopyranose beta-D-Man-(1->4)-beta-D-glcnac beta-D-Mannosyl-(1->4)-N-acetyl-beta-D-glucosamine Manb1-4glcnacb Manbeta1-4glcnacbeta WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*ncc/3=o][a1122h-1b_1-5]/1-2/a4-b1 2-Acetamido-2-deoxy-4-O-b-D-mannopyranosyl-b-D-glucopyranose 2-Acetamido-2-deoxy-4-O-β-D-mannopyranosyl-β-D-glucopyranose b-D-Man-(1->4)-b-D-glcnac Β-D-man-(1->4)-β-D-glcnac b-D-Mannosyl-(1->4)-N-acetyl-b-D-glucosamine Β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosamine b-1,4-Mannosyl-N-acetylglucosamine Β-1,4-mannosyl-N-acetylglucosamine 2-(Acetylamino)-2-deoxy-4-O-beta-D-mannopyranosyl-beta-D-glucopyranose 2-(Acetylamino)-2-deoxy-4-O-β-D-mannopyranosyl-β-D-glucopyranose 4-O-Mannopyranosyl-N-acetylglucosamine 4-O-beta-D-Mannopyranosyl-N-acetyl-D-glucosamine 4-O-Β-D-mannopyranosyl-N-acetyl-D-glucosamine Man(beta1-4)glcnac Man(β1-4)glcnac Man-glcnac Man-beta-1,4-glcnac Man-β-1,4-glcnac Manp(beta1-4)glcpnac Manp(β1-4)glcpnac Manp-glcpnac Manp-beta-1,4-glcpnac Manp-β-1,4-glcpnac beta-1,4-D-Mannosyl-N-acetyl-D-glucosamine beta-D-Man-(1→4)-beta-D-glcnac beta-D-Mannopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-glucopyranose beta-D-Mannosyl-(1→4)-N-acetyl-beta-D-glucosamine beta-D-Manp-(1→4)-beta-D-glcpnac Β-1,4-D-mannosyl-N-acetyl-D-glucosamine Β-D-man-(1→4)-β-D-glcnac Β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose Β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosamine Β-D-manp-(1→4)-β-D-glcpnac b-D-Manp-(1->4)-b-D-glcpnac Β-D-manp-(1->4)-β-D-glcpnac beta-1,4-Mannosyl-N-acetylglucosamine C14H25NO11 383.35 383.142760629 N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide 856224-94-7 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 KFEUJDWYNGMDBV-JVHZDDNZSA-N belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Acylaminosugars Acetals Acetamides Carbonyl compounds Disaccharides 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 Acylaminosugar Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Disaccharide Glycosyl compound Hemiacetal Hydrocarbon derivative N-acyl-alpha-hexosamine O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds beta-D-Manp-(1->4)-D-GlcpNAc Solid logp -2.80 ALOGPS logs -0.17 ALOGPS logp -5 ChemAxon pka_strongest_acidic 11.5 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide ChemAxon average_mass 383.35 ChemAxon mono_mass 383.142760629 ChemAxon smiles CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ChemAxon formula C14H25NO11 ChemAxon inchi InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 ChemAxon inchikey KFEUJDWYNGMDBV-JVHZDDNZSA-N ChemAxon polar_surface_area 198.4 ChemAxon refractivity 79.44 ChemAxon polarizability 36.17 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 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::CMs 133346 Specdb::CMs 141080 Specdb::MsMs 2837469 Specdb::MsMs 2837470 Specdb::MsMs 2837471 Specdb::MsMs 2868600 Specdb::MsMs 2868601 Specdb::MsMs 2868602 Specdb::NmrOneD 150320 Specdb::NmrOneD 150321 Specdb::NmrOneD 150322 Specdb::NmrOneD 150323 Specdb::NmrOneD 150324 Specdb::NmrOneD 150325 Specdb::NmrOneD 150326 Specdb::NmrOneD 150327 Specdb::NmrOneD 150328 Specdb::NmrOneD 150329 Specdb::NmrOneD 150330 Specdb::NmrOneD 150331 Specdb::NmrOneD 150332 Specdb::NmrOneD 150333 Specdb::NmrOneD 150334 Specdb::NmrOneD 150335 Specdb::NmrOneD 150336 Specdb::NmrOneD 150337 Specdb::NmrOneD 150338 Specdb::NmrOneD 150339 FDB111641 28533652 70698368 71553