1.0 2016-09-30 22:38:53 UTC 2020-04-22 15:06:02 UTC BMDB0000940 BMDB00940 Threonolactone L-Threonic acid-1,4-lactone Threonic acid-1,4-lactone L-Threonate-1,4-lactone Threonate-1,4-lactone 3,4-Bis[(trimethylsilyl)oxy]dihydro-cis-2(3H)-furanone Bis-TMS-threono-1,4-lactone cis-Dihydro-3,4-bis[(trimethylsilyl)oxy]-2(3H)-furanone Di-TMS-threono-1,4-lactone C4H6O4 118.088 118.02660868 (3R,4S)-3,4-dihydroxyoxolan-2-one (3R,4S)-3,4-dihydroxyoxolan-2-one 21730-93-8 O[C@H]1COC(=O)[C@@H]1O InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1 SGMJBNSHAZVGMC-STHAYSLISA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Gamma butyrolactones 1,2-diols Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans 1,2-diol Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran Aliphatic heteromonocyclic compounds butan-4-olide diol Solid logp -1.72 ALOGPS logs 1.02 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 11.66 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3R,4S)-3,4-dihydroxyoxolan-2-one ChemAxon average_mass 118.088 ChemAxon mono_mass 118.02660868 ChemAxon smiles O[C@H]1COC(=O)[C@@H]1O ChemAxon formula C4H6O4 ChemAxon inchi InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m0/s1 ChemAxon inchikey SGMJBNSHAZVGMC-STHAYSLISA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 22.85 ChemAxon polarizability 9.87 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 978 Specdb::MsIr 979 Specdb::MsIr 980 Specdb::MsMs 320125 Specdb::MsMs 320126 Specdb::MsMs 320127 Specdb::MsMs 367444 Specdb::MsMs 367445 Specdb::MsMs 367446 Specdb::MsMs 3054395 Specdb::MsMs 3054396 Specdb::MsMs 3054397 Specdb::MsMs 3115881 Specdb::MsMs 3115882 Specdb::MsMs 3115883 Specdb::CMs 24463 Specdb::CMs 37853 Specdb::CMs 149925 Specdb::CMs 1082041 Specdb::CMs 1082042 Specdb::CMs 1082044 Specdb::CMs 1082046 Specdb::CMs 1082048 2006913 FDB022328 2724794 71176 5888 Nakaminami, Gen; Edo, Haruo; Nakagawa, Masazumi. Syntheses of L-threose and methyl di-O-acetyl-L-threuronate from (+)-tartaric acid. Bulletin of the Chemical Society of Japan (1973), 46(1), 266-9.