1.0 2020-03-04 17:11:02 UTC 2020-04-22 16:08:44 UTC BMDB0065944 BMDB65944 MG(21:0/0:0/0:0) C24H48O4 400.644 400.355260026 (2R)-2,3-dihydroxypropyl henicosanoate (2R)-2,3-dihydroxypropyl henicosanoate [H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCC InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-22-23(26)21-25/h23,25-26H,2-22H2,1H3/t23-/m1/s1 SMUXPRLRWPVDDT-HSZRJFAPSA-N belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1-monoacylglycerols 1,2-diols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diol 1-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Aliphatic acyclic compounds logp 8.04 ALOGPS logs -6.23 ALOGPS logp 7.3 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-2,3-dihydroxypropyl henicosanoate ChemAxon average_mass 400.644 ChemAxon mono_mass 400.355260026 ChemAxon smiles [H][C@@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCCCCC ChemAxon formula C24H48O4 ChemAxon inchi InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-22-23(26)21-25/h23,25-26H,2-22H2,1H3/t23-/m1/s1 ChemAxon inchikey SMUXPRLRWPVDDT-HSZRJFAPSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 117.11 ChemAxon polarizability 53.12 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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 49097 Specdb::CMs 134516 Specdb::CMs 142250 Specdb::MsMs 608311 Specdb::MsMs 608312 Specdb::MsMs 608313 Specdb::MsMs 2808941 Specdb::MsMs 2808942 Specdb::MsMs 2808943 Specdb::MsMs 2830084 Specdb::MsMs 2830085 Specdb::MsMs 2830086 Specdb::MsMs 2852767 Specdb::MsMs 2852768 Specdb::MsMs 2852769 Specdb::MsMs 2964774 Specdb::MsMs 2964775 Specdb::MsMs 2964776 FDB044872 98117715