1.0 2010-04-08 22:10:02 UTC 2019-11-26 03:06:20 UTC FDB012177 2-Deoxy-L-ribono-1,4-lactone Constituent of the fruit of Foeniculum vulgare (fennel). 2-Deoxy-L-ribono-1,4-lactone is found in herbs and spices. 2-Deoxy-L-ribono-1,4-lactone 4,5-dihydro-4-Hydroxy-5-(hydroxymethyl)-2(3H)-furanone 4,5-Dihydro-4-hydroxy-5-(hydroxymethyl)-2(3H)-furanone; L-erythro-form C5H8O4 132.1146 132.042258744 4-hydroxy-5-(hydroxymethyl)oxolan-2-one 4-hydroxy-5-(hydroxymethyl)oxolan-2-one 38996-14-4 OCC1OC(=O)CC1O InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2 YIXDEYPPAGPYDP-UHFFFAOYSA-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. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans 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 Primary alcohol Secondary alcohol Tetrahydrofuran a small molecule logp -1.45 ALOGPS logs 0.87 ALOGPS solubility 9.72e+02 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 13.76 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-hydroxy-5-(hydroxymethyl)oxolan-2-one ChemAxon average_mass 132.1146 ChemAxon mono_mass 132.042258744 ChemAxon smiles OCC1OC(=O)CC1O ChemAxon formula C5H8O4 ChemAxon inchi InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2 ChemAxon inchikey YIXDEYPPAGPYDP-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 27.48 ChemAxon polarizability 11.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 101745 Specdb::MsMs 101746 Specdb::MsMs 101747 Specdb::MsMs 167421 Specdb::MsMs 167422 Specdb::MsMs 167423 Specdb::MsMs 2350486 Specdb::MsMs 2350487 Specdb::MsMs 2350488 Specdb::MsMs 2588326 Specdb::MsMs 2588327 Specdb::MsMs 2588328 Specdb::CMs 18549 Specdb::CMs 43609 Specdb::CMs 134592 Specdb::CMs 142326 Specdb::NmrOneD 123898 Specdb::NmrOneD 123899 Specdb::NmrOneD 123900 Specdb::NmrOneD 123901 Specdb::NmrOneD 123902 Specdb::NmrOneD 123903 Specdb::NmrOneD 123904 Specdb::NmrOneD 123905 Specdb::NmrOneD 123906 Specdb::NmrOneD 123907 Specdb::NmrOneD 123908 Specdb::NmrOneD 123909 Specdb::NmrOneD 123910 Specdb::NmrOneD 123911 Specdb::NmrOneD 123912 Specdb::NmrOneD 123913 Specdb::NmrOneD 123914 Specdb::NmrOneD 123915 Specdb::NmrOneD 123916 Specdb::NmrOneD 123917 HMDB33958 #<Reference:0x000055ce2ef204c0> Herbs and Spices Unknown generic