2.0 2015-09-08 17:48:30 -0600 2015-09-08 17:48:30 -0600 ECMDB24022 M2MDB006139 L-Acetylcarnitine C9H17NO4 203.2356 203.115758037 (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate acetyl-L-carnitine CC(=O)OC(CC([O-])=O)C[N+](C)(C)C InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 RDHQFKQIGNGIED-UHFFFAOYSA-N logp -2.39 ALOGPS logs -2.86 ALOGPS solubility 3.55e-01 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 203.2356 ChemAxon mono_mass 203.115758037 ChemAxon smiles CC(=O)OC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C9H17NO4 ChemAxon inchi InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 ChemAxon inchikey RDHQFKQIGNGIED-UHFFFAOYSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 72.64 ChemAxon polarizability 20.82 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6226 Specdb::CMs 146532 Specdb::CMs 1054018 Specdb::CMs 1054019 Specdb::NmrOneD 5159 Specdb::NmrOneD 5160 Specdb::NmrOneD 5161 Specdb::NmrOneD 142830 Specdb::NmrOneD 142831 Specdb::NmrOneD 142832 Specdb::NmrOneD 142833 Specdb::NmrOneD 142834 Specdb::NmrOneD 142835 Specdb::NmrOneD 142836 Specdb::NmrOneD 142837 Specdb::NmrOneD 142838 Specdb::NmrOneD 142839 Specdb::NmrOneD 142840 Specdb::NmrOneD 142841 Specdb::NmrOneD 142842 Specdb::NmrOneD 142843 Specdb::NmrOneD 142844 Specdb::NmrOneD 142845 Specdb::NmrOneD 142846 Specdb::NmrOneD 142847 Specdb::NmrOneD 142848 Specdb::NmrOneD 142849 Specdb::NmrOneD 166542 Specdb::MsMs 1218097 Specdb::MsMs 1218098 Specdb::MsMs 1218099 Specdb::MsMs 1218100 Specdb::MsMs 3056807 Specdb::MsMs 3056808 Specdb::MsMs 3056809 Specdb::NmrTwoD 1998