1.0 2020-04-20 17:27:33 UTC 2025-11-19 03:11:17 UTC FDB112174 Riboflavin reduced C15H16N4O6 348.3107 348.106984264 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-benzo[g]pteridine-2,4-dione OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12 InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1 ATANIONNQLTUND-CKYFFXLPSA-N belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione). Alloxazines and isoalloxazines Organic compounds Organoheterocyclic compounds Pteridines and derivatives Alloxazines and isoalloxazines Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Polyols Primary alcohols Pyrazines Pyrimidones Quinoxalines Secondary alcohols Vinylogous amides Alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Isoalloxazine Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary alcohol Pyrazine Pyrimidine Pyrimidone Quinoxaline Secondary alcohol Vinylogous amide logp -1.64 ALOGPS logs -2.86 ALOGPS solubility 4.76e-01 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 5.97 ChemAxon pka_strongest_basic -3 ChemAxon iupac 10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione ChemAxon average_mass 348.3107 ChemAxon mono_mass 348.106984264 ChemAxon smiles OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12 ChemAxon formula C15H16N4O6 ChemAxon inchi InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1 ChemAxon inchikey ATANIONNQLTUND-CKYFFXLPSA-N ChemAxon polar_surface_area 155.05 ChemAxon refractivity 86.19 ChemAxon polarizability 33.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11922 Specdb::CMs 38126 Specdb::CMs 149200 Specdb::CMs 149201 Specdb::CMs 149203 Specdb::CMs 169852 Specdb::CMs 279715 Specdb::NmrOneD 336658 Specdb::NmrOneD 336659 Specdb::NmrOneD 336660 Specdb::NmrOneD 336661 Specdb::NmrOneD 336662 Specdb::NmrOneD 336663 Specdb::NmrOneD 336664 Specdb::NmrOneD 336665 Specdb::NmrOneD 336666 Specdb::NmrOneD 336667 Specdb::NmrOneD 336668 Specdb::NmrOneD 336669 Specdb::NmrOneD 336670 Specdb::NmrOneD 336671 Specdb::NmrOneD 336672 Specdb::NmrOneD 336673 Specdb::NmrOneD 336674 Specdb::NmrOneD 336675 Specdb::NmrOneD 336676 Specdb::NmrOneD 336677 Specdb::MsMs 292255 Specdb::MsMs 292256 Specdb::MsMs 292257 Specdb::MsMs 332407 Specdb::MsMs 332408 Specdb::MsMs 332409 Specdb::MsMs 3048857 Specdb::MsMs 3048858 Specdb::MsMs 3048859 Specdb::MsMs 3118603 Specdb::MsMs 3118604 Specdb::MsMs 3118605 HMDB0001557 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823