1.0 2010-04-08 22:04:51 UTC 2018-05-28 22:09:37 UTC FDB001172 4-O-Methyl-myo-inositol The D- form is Isolated from Ononis subspecies, Vigna catjang, Kiggelaria africana, Medicago sativa (alfalfa), Leucaena glauca and others [CCD]. DL-Ononitol C7H14O6 194.1825 194.07903818 (1R,2R,3R,4R,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol 6-O-methyl-myo-inositol 484-69-5 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-/m1/s1 DSCFFEYYQKSRSV-HYBKHIPXSA-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 methyl myo-inositols logp -2.67 ALOGPS logs 0.45 ALOGPS solubility 5.44e+02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1R,2R,3R,4R,5S,6R)-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-/m1/s1 ChemAxon inchikey DSCFFEYYQKSRSV-HYBKHIPXSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 40.53 ChemAxon polarizability 18.04 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 110358 Specdb::NmrOneD 110359 Specdb::NmrOneD 110360 Specdb::NmrOneD 110361 Specdb::NmrOneD 110362 Specdb::NmrOneD 110363 Specdb::NmrOneD 110364 Specdb::NmrOneD 110365 Specdb::NmrOneD 110366 Specdb::NmrOneD 110367 Specdb::NmrOneD 110368 Specdb::NmrOneD 110369 Specdb::NmrOneD 110370 Specdb::NmrOneD 110371 Specdb::NmrOneD 110372 Specdb::NmrOneD 110373 Specdb::NmrOneD 110374 Specdb::NmrOneD 110375 Specdb::NmrOneD 110376 Specdb::NmrOneD 110377 Specdb::NmrOneD 110378 Specdb::NmrOneD 110379 Specdb::NmrOneD 110380 Specdb::NmrOneD 110381 Specdb::NmrOneD 110382 Specdb::MsMs 61068 Specdb::MsMs 61069 Specdb::MsMs 61070 Specdb::MsMs 117534 Specdb::MsMs 117535 Specdb::MsMs 117536 Specdb::MsMs 2410633 Specdb::MsMs 2410634 Specdb::MsMs 2410635 Specdb::MsMs 2554531 Specdb::MsMs 2554532 Specdb::MsMs 2554533 Specdb::CMs 1686 Specdb::CMs 11028 Specdb::CMs 41635 Specdb::CMs 145977 Specdb::CMs 174210 Specdb::MsIr 3767 Specdb::MsIr 3768 Specdb::MsIr 3769 HMDB29916 #<Reference:0x00007f091957bf38>