2.0 2012-07-30 14:55:31 -0600 2015-06-03 17:21:16 -0600 ECMDB21378 M2MDB001774 Thiomethylgalactoside Thiomethylgalactoside belongs to the class of Hexoses. These are monosaccharides in which the sugar unit is a hexose. (inferred from compound structure) (3R,5R,6S)-2-(hydroxymethyl)-6-methylsulfanyloxane-3,4,5-triol (3R,5R,6S)-2-(Hydroxymethyl)-6-methylsulphanyloxane-3,4,5-triol C7H14O5S 210.248 210.056194248 (3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triol (3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triol 155-30-6 [H]OC([H])([H])C1([H])O[C@@]([H])(SC([H])([H])[H])[C@]([H])(O[H])C([H])(O[H])[C@@]1([H])O[H] InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3?,4-,5?,6+,7-/m0/s1 LZFNFLTVAMOOPJ-XMAYFYEJSA-N Cytoplasm logp -2.06 ALOGPS logs 0.18 ALOGPS solubility 3.16e+02 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 12.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3R,5R,6S)-2-(hydroxymethyl)-6-(methylsulfanyl)oxane-3,4,5-triol ChemAxon average_mass 210.248 ChemAxon mono_mass 210.056194248 ChemAxon smiles [H]OC([H])([H])C1([H])O[C@@]([H])(SC([H])([H])[H])[C@]([H])(O[H])C([H])(O[H])[C@@]1([H])O[H] ChemAxon formula C7H14O5S ChemAxon inchi InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3?,4-,5?,6+,7-/m0/s1 ChemAxon inchikey LZFNFLTVAMOOPJ-XMAYFYEJSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 46.79 ChemAxon polarizability 20.13 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086671 Specdb::EiMs 4317 Specdb::NmrOneD 282019 Specdb::NmrOneD 282020 Specdb::NmrOneD 282021 Specdb::NmrOneD 282022 Specdb::NmrOneD 282023 Specdb::NmrOneD 282024 Specdb::NmrOneD 282025 Specdb::NmrOneD 282026 Specdb::NmrOneD 282027 Specdb::NmrOneD 282028 Specdb::NmrOneD 282029 Specdb::NmrOneD 282030 Specdb::NmrOneD 282031 Specdb::NmrOneD 282032 Specdb::NmrOneD 282033 Specdb::NmrOneD 282034 Specdb::NmrOneD 282035 Specdb::NmrOneD 282036 Specdb::NmrOneD 282037 Specdb::NmrOneD 282038 Specdb::MsMs 28301 Specdb::MsMs 28302 Specdb::MsMs 28303 Specdb::MsMs 34859 Specdb::MsMs 34860 Specdb::MsMs 34861 92102 83151 Melibiose carrier protein P02921 MELB_ECOLI melB http://ecmdb.ca/proteins/P02921.xml