1.0 2010-04-08 22:10:05 UTC 2025-11-18 23:35:25 UTC FDB012274 Bikojic acid Found in cotton lint associated with aflatoxin contamination in cotton seed Gossypium hirsutum 6,6'-Bis(5-hydroxy-2-hydroxymethyl-4H-pyran-4-one) BGY-F C12H10O8 282.203 282.037567296 3-hydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-6-(hydroxymethyl)-4H-pyran-4-one 3-hydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-6-(hydroxymethyl)pyran-4-one OCC1=CC(=O)C(O)=C(O1)C1=C(O)C(=O)C=C(CO)O1 InChI=1S/C12H10O8/c13-3-5-1-7(15)9(17)11(19-5)12-10(18)8(16)2-6(4-14)20-12/h1-2,13-14,17-18H,3-4H2 SBAWSKBDCSMRPE-UHFFFAOYSA-N belongs to the class of organic compounds known as pyranones and derivatives. Pyranones and derivatives are compounds containing a pyran ring which bears a ketone. Pyranones and derivatives Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aromatic heteromonocyclic compounds Aromatic alcohols Cyclic ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Cyclic ketone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Pyranone logp -0.68 ALOGPS logs -2.34 ALOGPS solubility 1.29e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 7.89 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-hydroxy-2-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-6-(hydroxymethyl)-4H-pyran-4-one ChemAxon average_mass 282.203 ChemAxon mono_mass 282.037567296 ChemAxon smiles OCC1=CC(=O)C(O)=C(O1)C1=C(O)C(=O)C=C(CO)O1 ChemAxon formula C12H10O8 ChemAxon inchi InChI=1S/C12H10O8/c13-3-5-1-7(15)9(17)11(19-5)12-10(18)8(16)2-6(4-14)20-12/h1-2,13-14,17-18H,3-4H2 ChemAxon inchikey SBAWSKBDCSMRPE-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 70.7 ChemAxon polarizability 25.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16477 Specdb::CMs 43666 Specdb::CMs 135362 Specdb::CMs 143096 Specdb::NmrOneD 124118 Specdb::NmrOneD 124119 Specdb::NmrOneD 124120 Specdb::NmrOneD 124121 Specdb::NmrOneD 124122 Specdb::NmrOneD 124123 Specdb::NmrOneD 124124 Specdb::NmrOneD 124125 Specdb::NmrOneD 124126 Specdb::NmrOneD 124127 Specdb::NmrOneD 124128 Specdb::NmrOneD 124129 Specdb::NmrOneD 124130 Specdb::NmrOneD 124131 Specdb::NmrOneD 124132 Specdb::NmrOneD 124133 Specdb::NmrOneD 124134 Specdb::NmrOneD 124135 Specdb::NmrOneD 124136 Specdb::NmrOneD 124137 Specdb::MsMs 91596 Specdb::MsMs 91597 Specdb::MsMs 91598 Specdb::MsMs 155019 Specdb::MsMs 155020 Specdb::MsMs 155021 Specdb::MsMs 2337100 Specdb::MsMs 2337101 Specdb::MsMs 2337102 Specdb::MsMs 2629034 Specdb::MsMs 2629035 Specdb::MsMs 2629036 HMDB34034 #<Reference:0x000055ce31cf4d38> Fats and oils Unknown generic