1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:36 UTC FDB016991 N-(1-Deoxy-1-fructosyl)leucine Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] 1-[(1-Carboxy-3-methylbutyl)amino]-1-deoxyfructose, 9CI Fructose-leucine N-(1-Deoxy-1-fructosyl)leucine C12H23NO7 293.3135 293.147452095 (2S)-4-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid (2S)-4-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid 34393-18-5 CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t7-,8+,9+,10-,12?/m0/s1 KGTRBDVOUPALMB-PPNLDZOPSA-N belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Leucine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic heteromonocyclic compounds Amino acids C-glycosyl compounds Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Heterocyclic fatty acids Hydrocarbon derivatives Hydroxy fatty acids L-alpha-amino acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Alpha-amino acid Amine Amino acid Branched fatty acid C-glycosyl compound Carbonyl group Carboxylic acid Fatty acid Fatty acyl Glycosyl compound Hemiacetal Heterocyclic fatty acid Hydrocarbon derivative Hydroxy fatty acid L-alpha-amino acid Leucine or derivatives Methyl-branched fatty acid Monocarboxylic acid or derivatives Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydrofuran logp -1.68 ALOGPS logs -0.29 ALOGPS solubility 1.52e+02 g/l ALOGPS melting_point Mp 145 dec° logp -3.6 ChemAxon pka_strongest_acidic 1.67 ChemAxon pka_strongest_basic 8.75 ChemAxon iupac (2S)-4-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid ChemAxon average_mass 293.3135 ChemAxon mono_mass 293.147452095 ChemAxon smiles CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O ChemAxon formula C12H23NO7 ChemAxon inchi InChI=1S/C12H23NO7/c1-6(2)3-7(11(17)18)13-5-12(19)10(16)9(15)8(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t7-,8+,9+,10-,12?/m0/s1 ChemAxon inchikey KGTRBDVOUPALMB-PPNLDZOPSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 67.04 ChemAxon polarizability 29.29 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14455 Specdb::CMs 45570 Specdb::CMs 131816 Specdb::CMs 139550 Specdb::MsMs 56415 Specdb::MsMs 56416 Specdb::MsMs 56417 Specdb::MsMs 111825 Specdb::MsMs 111826 Specdb::MsMs 111827 Specdb::MsMs 2747146 Specdb::MsMs 2747147 Specdb::MsMs 2747148 Specdb::MsMs 2930970 Specdb::MsMs 2930971 Specdb::MsMs 2930972 Specdb::NmrOneD 23162 Specdb::NmrOneD 23163 Specdb::NmrOneD 23164 Specdb::NmrOneD 23165 Specdb::NmrOneD 23166 Specdb::NmrOneD 23167 Specdb::NmrOneD 23168 Specdb::NmrOneD 23169 Specdb::NmrOneD 23170 Specdb::NmrOneD 23171 Specdb::NmrOneD 23172 Specdb::NmrOneD 23173 Specdb::NmrOneD 23174 Specdb::NmrOneD 23175 Specdb::NmrOneD 23176 Specdb::NmrOneD 23177 Specdb::NmrOneD 23178 Specdb::NmrOneD 23179 Specdb::NmrOneD 23180 Specdb::NmrOneD 23181 HMDB37840 #<Reference:0x000055ce323bdfe8>