1.0 2010-04-08 22:10:13 UTC 2025-11-18 23:37:33 UTC FDB012527 L-Pinitol Present in tarragon (Artemisia dracunculus). L-Pinitol is found in herbs and spices. (1R,2R,3S,4R,5S,6R)-6-Methoxycyclohexane-1,2,3,4,5-pentol 1L-3-O-methyl-chiro-inositol 3-O-Methyl-L-chiro-inositol L-Pinitol C7H14O6 194.1825 194.07903818 (1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol pinit 3559-00-0 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1 DSCFFEYYQKSRSV-KLJZZCKASA-N belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Cyclohexanols Organic compounds Organic oxygen compounds Organooxygen compounds Alcohols and polyols Aliphatic homomonocyclic compounds Cyclitols and derivatives Dialkyl ethers Hydrocarbon derivatives Polyols Aliphatic homomonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl ether Ether Hydrocarbon derivative Polyol pinitol logp -2.67 ALOGPS logs 0.45 ALOGPS solubility 5.44e+02 g/l ALOGPS melting_point Mp 186° logp -3.1 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol ChemAxon average_mass 194.1825 ChemAxon mono_mass 194.07903818 ChemAxon smiles CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O ChemAxon formula C7H14O6 ChemAxon inchi InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5-,6+,7+/m0/s1 ChemAxon inchikey DSCFFEYYQKSRSV-KLJZZCKASA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 40.53 ChemAxon polarizability 17.99 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6484 Specdb::MsIr 6485 Specdb::MsIr 6486 Specdb::MsMs 48222 Specdb::MsMs 48223 Specdb::MsMs 48224 Specdb::MsMs 169881 Specdb::MsMs 169882 Specdb::MsMs 169883 Specdb::MsMs 2373312 Specdb::MsMs 2373313 Specdb::MsMs 2373314 Specdb::MsMs 2565872 Specdb::MsMs 2565873 Specdb::MsMs 2565874 Specdb::CMs 16768 Specdb::CMs 43769 Specdb::CMs 169820 Specdb::CMs 170473 Specdb::NmrOneD 124878 Specdb::NmrOneD 124879 Specdb::NmrOneD 124880 Specdb::NmrOneD 124881 Specdb::NmrOneD 124882 Specdb::NmrOneD 124883 Specdb::NmrOneD 124884 Specdb::NmrOneD 124885 Specdb::NmrOneD 124886 Specdb::NmrOneD 124887 Specdb::NmrOneD 124888 Specdb::NmrOneD 124889 Specdb::NmrOneD 124890 Specdb::NmrOneD 124891 Specdb::NmrOneD 124892 Specdb::NmrOneD 124893 Specdb::NmrOneD 124894 Specdb::NmrOneD 124895 Specdb::NmrOneD 124896 Specdb::NmrOneD 124897 Specdb::NmrOneD 124938 Specdb::NmrOneD 124939 Specdb::NmrOneD 124940 Specdb::NmrOneD 124941 Specdb::NmrOneD 124942 HMDB34222 37209 #<Reference:0x000055ce3335f960> Herbs and Spices Unknown generic