1.0 2020-03-04 17:10:57 UTC 2020-04-22 16:08:42 UTC BMDB0065940 BMDB65940 MG(i-14:0/0:0/0:0) C17H34O4 302.455 302.245709575 (2R)-2,3-dihydroxypropyl 12-methyltridecanoate (2R)-2,3-dihydroxypropyl 12-methyltridecanoate [H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)C InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3/t16-/m1/s1 ZGNRVILZVRTZON-MRXNPFEDSA-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 4.50 ALOGPS logs -3.85 ALOGPS logp 4.04 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-2,3-dihydroxypropyl 12-methyltridecanoate ChemAxon average_mass 302.455 ChemAxon mono_mass 302.245709575 ChemAxon smiles [H][C@@](O)(CO)COC(=O)CCCCCCCCCCC(C)C ChemAxon formula C17H34O4 ChemAxon inchi InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3/t16-/m1/s1 ChemAxon inchikey ZGNRVILZVRTZON-MRXNPFEDSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 84.85 ChemAxon polarizability 37.82 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 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::CMs 49093 Specdb::CMs 170783 Specdb::MsMs 622372 Specdb::MsMs 622373 Specdb::MsMs 622374 Specdb::MsMs 2648241 Specdb::MsMs 2648242 Specdb::MsMs 2648243 Specdb::MsMs 2750683 Specdb::MsMs 2750684 Specdb::MsMs 2750685 Specdb::MsMs 2927830 Specdb::MsMs 2927831 Specdb::MsMs 2927832 Specdb::MsMs 3103280 Specdb::MsMs 3103281 Specdb::MsMs 3103282 FDB044868 51693118