1.02019-08-08 07:31:54 UTC2020-02-24 19:11:02 UTCFDB044600TG(8:0/12:0/14:0)C37H70O6610.961610.517239974(2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoate(2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoate[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCInChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-21-24-27-30-36(39)42-33-34(32-41-35(38)29-26-23-12-9-6-3)43-37(40)31-28-25-22-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3/t34-/m0/s1RJHHICMBDSUIHF-UMSFTDKQSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.TriacylglycerolsOrganic compoundsLipids and lipid-like moleculesGlycerolipidsTriradylcglycerolsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesOrganic oxidesTricarboxylic acids and derivativesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriacyl-sn-glycerolTricarboxylic acid or derivativeslogp9.51logs-7.66solubility1.34e-05 g/llogp12.7pka_strongest_basic-6.6iupac(2S)-2-(dodecanoyloxy)-3-(octanoyloxy)propyl tetradecanoateaverage_mass610.961mono_mass610.517239974smiles[H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCformulaC37H70O6inchiInChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-21-24-27-30-36(39)42-33-34(32-41-35(38)29-26-23-12-9-6-3)43-37(40)31-28-25-22-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3/t34-/m0/s1inchikeyRJHHICMBDSUIHF-UMSFTDKQSA-Npolar_surface_area78.9refractivity176.88polarizability79.17rotatable_bond_count36acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs621613Specdb::MsMs621614Specdb::MsMs621615Specdb::MsMs2267615Specdb::MsMs2267616Specdb::MsMs2267617Specdb::MsMs2432335Specdb::MsMs2432336Specdb::MsMs2432337Specdb::MsMs2515875Specdb::MsMs2515876Specdb::MsMs2515877Specdb::MsMs2838111Specdb::MsMs2838112Specdb::MsMs2838113Specdb::MsMs3071952Specdb::MsMs3071953Specdb::MsMs3071954Milk (Cow)Type 2specific