1.0 2020-03-04 17:40:49 UTC 2020-04-22 16:08:49 UTC BMDB0065957 BMDB65957 PC(DiMe(11,3)/DiMe(13,5)) PC(DiMe(11,3)/DiMe(13,5)) Phosphatidylcholine(11D3/13D5) Phosphatidylcholine(DiMe(11,3)/DiMe(13,5)) PC(11D3/13D5) C52H93NO10P 923.2693 922.653709713 (2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid 2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1 InChI=1S/C52H92NO10P/c1-10-12-27-33-48-44(5)45(6)50(63-48)35-29-23-19-15-13-14-16-22-26-31-37-52(55)61-46(41-60-64(56,57)59-39-38-53(7,8)9)40-58-51(54)36-30-25-21-18-17-20-24-28-34-49-43(4)42(3)47(62-49)32-11-2/h46H,10-41H2,1-9H3/p+1 RQWGDOMZLJGMQH-UHFFFAOYSA-O belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes. Inorganic compounds Mixed metal/non-metal compounds Miscellaneous mixed metal/non-metals Miscellaneous mixed metal/non-metals Miscellaneous mixed metal/non-metal logp 5.55 ALOGPS logs -5.79 ALOGPS logp 10.8 ChemAxon pka_strongest_acidic 1.86 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac (2-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid ChemAxon average_mass 923.2693 ChemAxon mono_mass 922.653709713 ChemAxon smiles CCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCC[N+](C)(C)C)O1 ChemAxon formula C52H93NO10P ChemAxon inchi InChI=1S/C52H92NO10P/c1-10-12-27-33-48-44(5)45(6)50(63-48)35-29-23-19-15-13-14-16-22-26-31-37-52(55)61-46(41-60-64(56,57)59-39-38-53(7,8)9)40-58-51(54)36-30-25-21-18-17-20-24-28-34-49-43(4)42(3)47(62-49)32-11-2/h46H,10-41H2,1-9H3/p+1 ChemAxon inchikey RQWGDOMZLJGMQH-UHFFFAOYSA-O ChemAxon polar_surface_area 134.64 ChemAxon refractivity 272.58 ChemAxon polarizability 114.81 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 682462 Specdb::MsMs 682463 Specdb::MsMs 682464 Specdb::MsMs 2607753 Specdb::MsMs 2607754 Specdb::MsMs 2607755 Specdb::MsMs 2639404 Specdb::MsMs 2639405 Specdb::MsMs 2639406 Specdb::MsMs 2706566 Specdb::MsMs 2706567 Specdb::MsMs 2706568 Specdb::MsMs 2995868 Specdb::MsMs 2995869 Specdb::MsMs 2995870 DB01373 272 Calcium