1.0 2016-10-03 18:13:31 UTC 2020-04-22 15:42:54 UTC BMDB0011143 BMDB11143 MG(18:0e/0:0/0:0) (S)-1-O-Octadecylglycerol (S)-3-(Octadecyloxy)-1,2-propanediol (S)-Batyl alcohol (S)-Octadecylglycerol Batyl alcohol LysoMG(18:0E) LysoMG(O-18:0) MAG(O-18:0/0:0/0:0) MG(18:0E/0:0/0:0) (2S)-3-Octadecoxypropane-1,2-diol 1-Octadecyl-sn-glycerol C21H44O3 344.5723 344.329045274 (2S)-3-(octadecyloxy)propane-1,2-diol 1-O-octadecyl-sn-glycerol [H][C@](O)(CO)COCCCCCCCCCCCCCCCCCC InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1 OGBUMNBNEWYMNJ-NRFANRHFSA-N belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols Monoalkylglycerols 1,2-diols 1-O-alkylglycerols Dialkyl ethers Glycerol ethers Hydrocarbon derivatives Primary alcohols Secondary alcohols 1,2-diol 1-o-alkylglycerol Alcohol Aliphatic acyclic compound Dialkyl ether Ether Glycerol ether Hydrocarbon derivative Monoalkylglycerol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Aliphatic acyclic compounds 1-O-alkyl-sn-glycerol batilol Solid logp 7.21 ALOGPS logs -5.84 ALOGPS logp 6.35 ChemAxon pka_strongest_acidic 13.64 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-3-(octadecyloxy)propane-1,2-diol ChemAxon average_mass 344.5723 ChemAxon mono_mass 344.329045274 ChemAxon smiles [H][C@](O)(CO)COCCCCCCCCCCCCCCCCCC ChemAxon formula C21H44O3 ChemAxon inchi InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3/t21-/m0/s1 ChemAxon inchikey OGBUMNBNEWYMNJ-NRFANRHFSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 103.55 ChemAxon polarizability 46.95 ChemAxon rotatable_bond_count 20 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 21435 Specdb::CMs 39561 Specdb::CMs 134637 Specdb::CMs 142371 Specdb::MsMs 313690 Specdb::MsMs 313691 Specdb::MsMs 313692 Specdb::MsMs 359239 Specdb::MsMs 359240 Specdb::MsMs 359241 Specdb::MsMs 2381129 Specdb::MsMs 2381130 Specdb::MsMs 2381131 Specdb::MsMs 2558334 Specdb::MsMs 2558335 Specdb::MsMs 2558336 FDB027918 10860876 9036166 74001