1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:39 UTC FDB016997 N-(1-Deoxy-1-fructosyl)phenylalanine 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-2-phenylethyl)amino]-1-deoxyfructose, 9CI Fructose-phenylalanine N-(1-Deoxy-1-fructosyl)phenylalanine C15H21NO7 327.3297 327.131802031 (2S)-3-phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid (2S)-3-phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid 87251-83-0 OC[C@H]1OC(O)(CN[C@@H](CC2=CC=CC=C2)C(O)=O)[C@@H](O)[C@@H]1O InChI=1S/C15H21NO7/c17-7-11-12(18)13(19)15(22,23-11)8-16-10(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-13,16-19,22H,6-8H2,(H,20,21)/t10-,11+,12+,13-,15?/m0/s1 FAVRCIXPIVJIPN-VJDSNFAGSA-N belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Phenylalanine and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteromonocyclic compounds Amino acids Amphetamines and derivatives Aralkylamines C-glycosyl compounds Carbonyl compounds Carboxylic acids Dialkylamines Hemiacetals Hydrocarbon derivatives L-alpha-amino acids Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pentoses Phenylpropanoic acids Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 3-phenylpropanoic-acid Alcohol Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic heteromonocyclic compound Benzenoid C-glycosyl compound Carbonyl group Carboxylic acid Glycosyl compound Hemiacetal Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Phenylalanine or derivatives Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine Tetrahydrofuran logp -1.37 ALOGPS logs -1.07 ALOGPS solubility 2.79e+01 g/l ALOGPS melting_point Mp 170° (browning at 140°) logp -3.2 ChemAxon pka_strongest_acidic 1.6 ChemAxon pka_strongest_basic 8.66 ChemAxon iupac (2S)-3-phenyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid ChemAxon average_mass 327.3297 ChemAxon mono_mass 327.131802031 ChemAxon smiles OC[C@H]1OC(O)(CN[C@@H](CC2=CC=CC=C2)C(O)=O)[C@@H](O)[C@@H]1O ChemAxon formula C15H21NO7 ChemAxon inchi InChI=1S/C15H21NO7/c17-7-11-12(18)13(19)15(22,23-11)8-16-10(14(20)21)6-9-4-2-1-3-5-9/h1-5,10-13,16-19,22H,6-8H2,(H,20,21)/t10-,11+,12+,13-,15?/m0/s1 ChemAxon inchikey FAVRCIXPIVJIPN-VJDSNFAGSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 77.99 ChemAxon polarizability 32.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18432 Specdb::CMs 45576 Specdb::CMs 170046 Specdb::NmrOneD 23282 Specdb::NmrOneD 23283 Specdb::NmrOneD 23284 Specdb::NmrOneD 23285 Specdb::NmrOneD 23286 Specdb::NmrOneD 23287 Specdb::NmrOneD 23288 Specdb::NmrOneD 23289 Specdb::NmrOneD 23290 Specdb::NmrOneD 23291 Specdb::NmrOneD 23292 Specdb::NmrOneD 23293 Specdb::NmrOneD 23294 Specdb::NmrOneD 23295 Specdb::NmrOneD 23296 Specdb::NmrOneD 23297 Specdb::NmrOneD 23298 Specdb::NmrOneD 23299 Specdb::NmrOneD 23300 Specdb::NmrOneD 23301 Specdb::MsMs 96912 Specdb::MsMs 96913 Specdb::MsMs 96914 Specdb::MsMs 161517 Specdb::MsMs 161518 Specdb::MsMs 161519 Specdb::MsMs 2261047 Specdb::MsMs 2261048 Specdb::MsMs 2261049 Specdb::MsMs 3078444 Specdb::MsMs 3078445 Specdb::MsMs 3078446 HMDB37846 #<Reference:0x000055ce32f2ea08>