1.0 2016-09-30 22:54:35 UTC 2020-04-22 15:10:47 UTC BMDB0002361 BMDB02361 Pentacosanoic acid Pentacosanoate Hyenate Hyenic acid N-Pentacosanoate N-Pentacosanoic acid C25H50O2 382.6633 382.381080844 pentacosanoic acid pentacosanoic acid 506-38-7 CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27) MWMPEAHGUXCSMY-UHFFFAOYSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Straight chain fatty acids straight-chain saturated fatty acid very long-chain fatty acid Solid logp 9.73 ALOGPS logs -7.29 ALOGPS logp 10.26 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac pentacosanoic acid ChemAxon average_mass 382.6633 ChemAxon mono_mass 382.381080844 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C25H50O2 ChemAxon inchi InChI=1S/C25H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-24H2,1H3,(H,26,27) ChemAxon inchikey MWMPEAHGUXCSMY-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 118.49 ChemAxon polarizability 53.74 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2200 Specdb::CMs 24299 Specdb::CMs 31414 Specdb::CMs 38390 Specdb::CMs 159844 Specdb::NmrOneD 1881 Specdb::NmrTwoD 1818 Specdb::MsMs 2082 Specdb::MsMs 319822 Specdb::MsMs 319823 Specdb::MsMs 319824 Specdb::MsMs 367048 Specdb::MsMs 367049 Specdb::MsMs 367050 Specdb::MsMs 2452123 Specdb::MsMs 2452124 Specdb::MsMs 2452125 Specdb::MsMs 2483239 Specdb::MsMs 2483240 Specdb::MsMs 2483241 FDB003081 10036 10468 39420 C00057417 Pentacosylic acid 4209 Cason, James; Wolfhagen, Helen J.; Tarpey, Winifred; Adams, Raylene E. Branched chain fatty acids. X. Synthesis of acids with branching methyl groups near the carboxyl. Journal of Organic Chemistry (1949), 14 147-54.