1.0 2010-04-08 22:10:23 UTC 2018-05-28 23:39:33 UTC FDB012834 Riboflavine 2',3',4',5'-tetrabutanoate Widely used food additive. Bituvitan Eyekas Hibon Hibon (TN) Lacflavin Riboflavin 2,3,4,5-tetrabutyrate Riboflavin 2',3',4',5'-tetrabutyrate Riboflavin butyrate Riboflavin butyrate (JP15) Riboflavin tetrabutyrate Riboflavin, 2',3',4',5'-tetrabutanoate Riboflavin, 2',3',4',5'-tetrabutyrate Riboflavine 2',3',4',5'-tetrabutanoate, 9CI Riboflavine butyrate Riboflavine tetrabutyrate Ribolact Tetra-o-butyrylriboflavin Viras Vitamin B2 2',3',4',5'-tetrabutyrate Vitamin B2 tetrabutyrate Wakaflavin l C33H44N4O10 656.7233 656.305743648 1,2,4-tris(butanoyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl butanoate riboflavin tetrabutyrate 752-56-7 CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43) MJNIWUJSIGSWKK-UHFFFAOYSA-N belongs to the class of organic compounds known as flavins. Flavins are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring. Flavins Organic compounds Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrazines Pyrimidones Quinoxalines Tetracarboxylic acids and derivatives Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diazanaphthalene Fatty acid ester Fatty acyl Flavin Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrazine Pyrimidine Pyrimidone Quinoxaline Tetracarboxylic acid or derivatives Vinylogous amide logp 3.72 ALOGPS logs -4.85 ALOGPS solubility 9.20e-03 g/l ALOGPS melting_point Mp 149° (142-146°) logp 5.43 ChemAxon pka_strongest_acidic 7.04 ChemAxon pka_strongest_basic 1.3 ChemAxon iupac 1,2,4-tris(butanoyloxy)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}pentan-3-yl butanoate ChemAxon average_mass 656.7233 ChemAxon mono_mass 656.305743648 ChemAxon smiles CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=C(C=C(C)C(C)=C2)N=C2C(=O)NC(=O)N=C12)OC(=O)CCC ChemAxon formula C33H44N4O10 ChemAxon inchi InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43) ChemAxon inchikey MJNIWUJSIGSWKK-UHFFFAOYSA-N ChemAxon polar_surface_area 179.33 ChemAxon refractivity 169.79 ChemAxon polarizability 69.64 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 9 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12894 Specdb::MsMs 294319 Specdb::MsMs 294320 Specdb::MsMs 294321 Specdb::MsMs 334999 Specdb::MsMs 335000 Specdb::MsMs 335001 Specdb::MsMs 2758961 Specdb::MsMs 2758962 Specdb::MsMs 2758963 Specdb::MsMs 2949402 Specdb::MsMs 2949403 Specdb::MsMs 2949404 HMDB34433 #<Reference:0x000055ce316d07e0>