1.0 2016-09-30 22:30:27 UTC 2020-04-22 15:03:31 UTC BMDB0000421 BMDB00421 2,3-Dihydroxyvaleric acid 2,3-Dihydroxyvalerate 2,3-Dihydroxy-valerate 2,3-Dihydroxy-valeric acid C5H10O4 134.1305 134.057908808 2,3-dihydroxypentanoic acid 2,3-dihydroxyvaleric acid 26386-47-0 CCC(O)C(O)C(O)=O InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9) CJXCLBPFKGZXJP-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids 1,2-diols Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives 1,2-diol Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds Hydroxy fatty acids Solid logp -0.87 ALOGPS logs 0.42 ALOGPS logp -0.58 ChemAxon pka_strongest_acidic 3.8 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2,3-dihydroxypentanoic acid ChemAxon average_mass 134.1305 ChemAxon mono_mass 134.057908808 ChemAxon smiles CCC(O)C(O)C(O)=O ChemAxon formula C5H10O4 ChemAxon inchi InChI=1S/C5H10O4/c1-2-3(6)4(7)5(8)9/h3-4,6-7H,2H2,1H3,(H,8,9) ChemAxon inchikey CJXCLBPFKGZXJP-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 29.33 ChemAxon polarizability 12.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1305 Specdb::MsMs 288949 Specdb::MsMs 288950 Specdb::MsMs 288951 Specdb::MsMs 328222 Specdb::MsMs 328223 Specdb::MsMs 328224 Specdb::MsMs 2319425 Specdb::MsMs 2319426 Specdb::MsMs 2319427 Specdb::MsMs 2619620 Specdb::MsMs 2619621 Specdb::MsMs 2619622 Specdb::CMs 10396 Specdb::CMs 37520 Specdb::CMs 156226 Specdb::CMs 1061323 Specdb::CMs 1061325 Specdb::CMs 1061327 Specdb::CMs 1061329 Specdb::CMs 1061330 Specdb::CMs 1061332 Specdb::CMs 1061334 Specdb::CMs 1061336 Specdb::CMs 1061338 Specdb::CMs 1061339 Specdb::CMs 1061341 Specdb::CMs 1061343 Specdb::CMs 1061345 Specdb::NmrOneD 1362 Specdb::NmrOneD 20302 Specdb::NmrOneD 20303 Specdb::NmrOneD 20304 Specdb::NmrOneD 20305 Specdb::NmrOneD 20306 Specdb::NmrOneD 20307 Specdb::NmrOneD 20308 Specdb::NmrOneD 20309 Specdb::NmrOneD 20310 Specdb::NmrOneD 20311 Specdb::NmrOneD 20312 Specdb::NmrOneD 20313 Specdb::NmrOneD 20314 Specdb::NmrOneD 20315 Specdb::NmrOneD 20316 Specdb::NmrOneD 20317 Specdb::NmrOneD 20318 Specdb::NmrOneD 20319 Specdb::NmrOneD 20320 Specdb::NmrOneD 20321 Specdb::NmrOneD 166629 FDB022035 13451358 20848966 5410 Kogl, Fritz; Duisberg, Herwarth; Erxleben, Hanni. Fungus poisons. I. Muscarine. I. Ann. (1931), 489 156-92.