1.0 2010-04-08 22:14:21 UTC 2015-07-21 06:35:45 UTC FDB019430 N-(1-Deoxy-1-fructosyl)isoleucine 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-methylbutyl)amino]-1-deoxyfructose Fructose-isoleucine N-(1-Deoxy-1-fructosyl)isoleucine C12H23NO7 293.3135 293.147452095 (2S)-3-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid (2S)-3-methyl-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)pentanoic acid 87304-79-8 CCC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O InChI=1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t6?,7-,8+,9-,10+,12?/m1/s1 VYGRYVGDPYFVCA-MFPOTZKYSA-N belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Secondary alcohols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Hydrocarbon derivative Secondary alcohol logp -1.71 ALOGPS logs -0.24 ALOGPS solubility 1.69e+02 g/l ALOGPS melting_point Mp 120° dec. logp -3.5 ChemAxon pka_strongest_acidic 1.66 ChemAxon pka_strongest_basic 8.84 ChemAxon iupac (2S)-3-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 CCC(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/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t6?,7-,8+,9-,10+,12?/m1/s1 ChemAxon inchikey VYGRYVGDPYFVCA-MFPOTZKYSA-N ChemAxon polar_surface_area 139.48 ChemAxon refractivity 66.97 ChemAxon polarizability 29.24 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14828 Specdb::CMs 46570 Specdb::CMs 169706 Specdb::NmrOneD 35882 Specdb::NmrOneD 35883 Specdb::NmrOneD 35884 Specdb::NmrOneD 35885 Specdb::NmrOneD 35886 Specdb::NmrOneD 35887 Specdb::NmrOneD 35888 Specdb::NmrOneD 35889 Specdb::NmrOneD 35890 Specdb::NmrOneD 35891 Specdb::NmrOneD 35892 Specdb::NmrOneD 35893 Specdb::NmrOneD 35894 Specdb::NmrOneD 35895 Specdb::NmrOneD 35896 Specdb::NmrOneD 35897 Specdb::NmrOneD 35898 Specdb::NmrOneD 35899 Specdb::NmrOneD 35900 Specdb::NmrOneD 35901 Specdb::MsMs 98313 Specdb::MsMs 98314 Specdb::MsMs 98315 Specdb::MsMs 163209 Specdb::MsMs 163210 Specdb::MsMs 163211 Specdb::MsMs 2325660 Specdb::MsMs 2325661 Specdb::MsMs 2325662 Specdb::MsMs 2610464 Specdb::MsMs 2610465 Specdb::MsMs 2610466 HMDB39780 #<Reference:0x000055ce3352bb18>