1.0 2016-10-03 18:22:52 UTC 2020-04-22 15:45:57 UTC BMDB0011685 BMDB11685 DHAP(8:0) 1-Capryloylglycerone 3-phosphate 1-Octanoylglycerone 3-phosphate Alkyldihydroxyacetonephosphate Octanoyl dhap Octanoyl dihydroxyacetone phosphate Octanoyl-glycerone 3-phosphate Octanoyldihydroxyacetonephosphate [3-(Octanoyloxy)-2-oxopropoxy]phosphonate C11H21O7P 296.254 296.102489538 [3-(octanoyloxy)-2-oxopropoxy]phosphonic acid 3-(octanoyloxy)-2-oxopropoxyphosphonic acid CCCCCCCC(=O)OCC(=O)COP(O)(O)=O InChI=1S/C11H21O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h2-9H2,1H3,(H2,14,15,16) PQQGELFARUCGEM-UHFFFAOYSA-N belongs to the class of organic compounds known as o-acylglycerone-phosphates. These are glycerone-3-phosphates carrying an acyl substituent at the 1-position. Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds O-acylglycerone-phosphates Alpha-acyloxy ketones Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates Organic oxides Aliphatic acyclic compound Alkyl phosphate Alpha-acyloxy ketone Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Monosaccharide phosphate O-acylglycerone-phosphate Organic oxide Organic phosphoric acid derivative Phosphoric acid ester Aliphatic acyclic compounds Solid logp 1.05 ALOGPS logs -2.26 ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 1.19 ChemAxon pka_strongest_basic -7 ChemAxon iupac [3-(octanoyloxy)-2-oxopropoxy]phosphonic acid ChemAxon average_mass 296.254 ChemAxon mono_mass 296.102489538 ChemAxon smiles CCCCCCCC(=O)OCC(=O)COP(O)(O)=O ChemAxon formula C11H21O7P ChemAxon inchi InChI=1S/C11H21O7P/c1-2-3-4-5-6-7-11(13)17-8-10(12)9-18-19(14,15)16/h2-9H2,1H3,(H2,14,15,16) ChemAxon inchikey PQQGELFARUCGEM-UHFFFAOYSA-N ChemAxon polar_surface_area 110.13 ChemAxon refractivity 67.26 ChemAxon polarizability 29.04 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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 25468 Specdb::CMs 169127 Specdb::MsMs 322423 Specdb::MsMs 322424 Specdb::MsMs 322425 Specdb::MsMs 370330 Specdb::MsMs 370331 Specdb::MsMs 370332 Specdb::MsMs 2764551 Specdb::MsMs 2764552 Specdb::MsMs 2764553 Specdb::MsMs 2941693 Specdb::MsMs 2941694 Specdb::MsMs 2941695 FDB028372 30776598 53481029 172525