1.0 2010-04-08 22:08:10 UTC 2019-11-26 03:02:55 UTC FDB008640 Bis-N-butyl phthalate Constituent of Moringa oleifera (horseradish tree). Bis-N-butyl phthalate is found in fats and oils, herbs and spices, and green vegetables. C22H29NO10 467.4664 467.179146153 4,5-bis(acetyloxy)-6-(4-{[(ethoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate 4,5-bis(acetyloxy)-6-(4-{[(ethoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate 159733-93-4 CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1 InChI=1S/C22H29NO10/c1-6-28-22(27)23-11-16-7-9-17(10-8-16)33-21-20(32-15(5)26)19(31-14(4)25)18(12(2)29-21)30-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,27) GTQXJGMYZPFFKR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Carbonyl compounds Carboximidic acids and derivatives Carboxylic acid esters Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Tricarboxylic acids and derivatives Acetal Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboximidic acid derivative Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Propargyl-type 1,3-dipolar organic compound Tricarboxylic acid or derivatives logp 2.47 ALOGPS logs -3.20 ALOGPS solubility 2.94e-01 g/l ALOGPS logp 1.69 ChemAxon pka_strongest_acidic 13.94 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4,5-bis(acetyloxy)-6-(4-{[(ethoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate ChemAxon average_mass 467.4664 ChemAxon mono_mass 467.179146153 ChemAxon smiles CCOC(=O)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C=C1 ChemAxon formula C22H29NO10 ChemAxon inchi InChI=1S/C22H29NO10/c1-6-28-22(27)23-11-16-7-9-17(10-8-16)33-21-20(32-15(5)26)19(31-14(4)25)18(12(2)29-21)30-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,27) ChemAxon inchikey GTQXJGMYZPFFKR-UHFFFAOYSA-N ChemAxon polar_surface_area 135.69 ChemAxon refractivity 110.38 ChemAxon polarizability 47.59 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24133 Specdb::MsMs 80178 Specdb::MsMs 80179 Specdb::MsMs 80180 Specdb::MsMs 140982 Specdb::MsMs 140983 Specdb::MsMs 140984 HMDB31949 #<Reference:0x000055ce307c0f98> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic