1.0 2020-04-20 19:12:07 UTC 2025-11-19 03:11:37 UTC FDB112297 PA(O-20:4(5Z,8Z,11Z,14Z)/2:0) C25H43O7P 486.5785 486.274640242 [(2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonic acid (2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxyphosphonic acid [H][C@@](COCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(C)=O InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1 LTIFQHVEGFEXBJ-NTNVCBRRSA-N belongs to the class of organic compounds known as 1-alkyl,2-acylglycerophosphates. These are glycerophosphates in which the O-1 atom of the glycerol is bonded to a fatty acid (saturated or unsaturated) through an ether linkage, and the O-2 atom is bonded to another fatty acid through an ester linkage. 1-alkyl,2-acylglycerophosphates Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl ethers Glycerol ethers Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides 1-alkyl,2-acyl-glycerol-3-phosphate Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Glycerol ether Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester logp 5.89 ALOGPS logs -5.60 ALOGPS solubility 1.22e-03 g/l ALOGPS logp 6.11 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac [(2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonic acid ChemAxon average_mass 486.5785 ChemAxon mono_mass 486.274640242 ChemAxon smiles [H][C@@](COCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(C)=O ChemAxon formula C25H43O7P ChemAxon inchi InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1 ChemAxon inchikey LTIFQHVEGFEXBJ-NTNVCBRRSA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 137.25 ChemAxon polarizability 53.73 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22989 Specdb::CMs 145910 Specdb::MsMs 27359 Specdb::MsMs 27360 Specdb::MsMs 27361 Specdb::MsMs 33917 Specdb::MsMs 33918 Specdb::MsMs 33919 Specdb::MsMs 2784955 Specdb::MsMs 2784956 Specdb::MsMs 2784957 Specdb::MsMs 2923435 Specdb::MsMs 2923436 Specdb::MsMs 2923437 Specdb::NmrOneD 306751 Specdb::NmrOneD 306752 Specdb::NmrOneD 306753 Specdb::NmrOneD 306754 Specdb::NmrOneD 306755 Specdb::NmrOneD 306756 Specdb::NmrOneD 306757 Specdb::NmrOneD 306758 Specdb::NmrOneD 306759 Specdb::NmrOneD 306760 Specdb::NmrOneD 306761 Specdb::NmrOneD 306762 Specdb::NmrOneD 306763 Specdb::NmrOneD 306764 Specdb::NmrOneD 306765 Specdb::NmrOneD 306766 Specdb::NmrOneD 306767 Specdb::NmrOneD 306768 Specdb::NmrOneD 306769 Specdb::NmrOneD 306770 HMDB0011156 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823