1.0 2016-09-30 22:30:13 UTC 2020-04-22 15:03:27 UTC BMDB0000409 BMDB00409 (5R)-5-Hydroxyhexanoic acid (-)-5-Hydroxycaproic acid (-)-5-Hydroxyhexanoic acid (5R)-5-Hydroxycaproic acid (R)-(-)-5-Hydroxyhexanoic acid (-)-5-Hydroxycaproate (-)-5-Hydroxyhexanoate (5R)-5-Hydroxycaproate (R)-(-)-5-Hydroxyhexanoate (5R)-5-Hydroxyhexanoate (5R)-5-Hydroxy-hexanoate (5R)-5-Hydroxy-hexanoic acid HMBA 5R-Hydroxy-hexanoate C6H12O3 132.1577 132.07864425 (5R)-5-hydroxyhexanoic acid HMBA 83972-61-6 C[C@@H](O)CCCC(O)=O InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 YDCRNMJQROAWFT-RXMQYKEDSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds (omega-1)-hydroxy fatty acid Hydroxy fatty acids medium-chain fatty acid Solid logp 0.32 ALOGPS logs -0.02 ALOGPS logp 0.35 ChemAxon pka_strongest_acidic 4.71 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (5R)-5-hydroxyhexanoic acid ChemAxon average_mass 132.1577 ChemAxon mono_mass 132.07864425 ChemAxon smiles C[C@@H](O)CCCC(O)=O ChemAxon formula C6H12O3 ChemAxon inchi InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1 ChemAxon inchikey YDCRNMJQROAWFT-RXMQYKEDSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 32.82 ChemAxon polarizability 14.02 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::MsMs 321982 Specdb::MsMs 321983 Specdb::MsMs 321984 Specdb::MsMs 369757 Specdb::MsMs 369758 Specdb::MsMs 369759 Specdb::MsMs 2683191 Specdb::MsMs 2683192 Specdb::MsMs 2683193 Specdb::MsMs 3023082 Specdb::MsMs 3023083 Specdb::MsMs 3023084 Specdb::MsIr 493 Specdb::MsIr 494 Specdb::MsIr 495 Specdb::CMs 25284 Specdb::CMs 37509 Specdb::CMs 170236 Specdb::CMs 1060840 Specdb::CMs 1060842 Specdb::CMs 1060844 Specdb::CMs 1060845 Specdb::CMs 1060847 Specdb::NmrOneD 143770 Specdb::NmrOneD 143771 Specdb::NmrOneD 143772 Specdb::NmrOneD 143773 Specdb::NmrOneD 143774 Specdb::NmrOneD 143775 Specdb::NmrOneD 143776 Specdb::NmrOneD 143777 Specdb::NmrOneD 143778 Specdb::NmrOneD 143779 Specdb::NmrOneD 143780 Specdb::NmrOneD 143781 Specdb::NmrOneD 143782 Specdb::NmrOneD 143783 Specdb::NmrOneD 143784 Specdb::NmrOneD 143785 Specdb::NmrOneD 143786 Specdb::NmrOneD 143787 Specdb::NmrOneD 143788 Specdb::NmrOneD 143789 FDB022025 5474600 7131043 78842 5398 Fazio, Fabio; Schneider, Manfred P. FA-catalyzed trimerization of R-(+)-6-methyltetrahydro-2-pyranone. FB 9-Bergische Universitat-GH-Wuppertal, Wuppertal, Germany. Tetrahedron Letters (2002), 43(5), 811-814.