1.0 2010-04-08 22:15:44 UTC 2019-11-26 03:20:26 UTC FDB021487 Isopropyl apiosylglucoside Constituent of the roots of cassava (Manihot esculenta). Isopropyl apiosylglucoside is found in root vegetables. 2-Propanol O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] Isopropyl [apiosyl-(1->6)-glucoside] Isopropyl apiosylglucoside Isopropyl O-[b-D-apiofuranosyl-(1->6)-b-D-glucopyranoside] C14H26O10 354.3502 354.152597052 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(propan-2-yloxy)oxane-3,4,5-triol 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-isopropoxyoxane-3,4,5-triol 147742-24-3 CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3 ADFAUEYXQCOXBX-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp -2.24 ALOGPS logs -0.21 ALOGPS solubility 2.19e+02 g/l ALOGPS melting_point Mp 119-120° logp -2.8 ChemAxon pka_strongest_acidic 11.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(propan-2-yloxy)oxane-3,4,5-triol ChemAxon average_mass 354.3502 ChemAxon mono_mass 354.152597052 ChemAxon smiles CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O ChemAxon formula C14H26O10 ChemAxon inchi InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3 ChemAxon inchikey ADFAUEYXQCOXBX-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 76.51 ChemAxon polarizability 34.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14007 Specdb::CMs 47358 Specdb::CMs 149522 Specdb::CMs 149524 Specdb::CMs 149526 Specdb::CMs 175437 Specdb::CMs 279732 Specdb::NmrOneD 47162 Specdb::NmrOneD 47163 Specdb::NmrOneD 47164 Specdb::NmrOneD 47165 Specdb::NmrOneD 47166 Specdb::NmrOneD 47167 Specdb::NmrOneD 47168 Specdb::NmrOneD 47169 Specdb::NmrOneD 47170 Specdb::NmrOneD 47171 Specdb::NmrOneD 47172 Specdb::NmrOneD 47173 Specdb::NmrOneD 47174 Specdb::NmrOneD 47175 Specdb::NmrOneD 47176 Specdb::NmrOneD 47177 Specdb::NmrOneD 47178 Specdb::NmrOneD 47179 Specdb::NmrOneD 47180 Specdb::NmrOneD 47181 Specdb::MsMs 10199 Specdb::MsMs 10200 Specdb::MsMs 10201 Specdb::MsMs 16871 Specdb::MsMs 16872 Specdb::MsMs 16873 Specdb::MsMs 2840856 Specdb::MsMs 2840857 Specdb::MsMs 2840858 Specdb::MsMs 2864943 Specdb::MsMs 2864944 Specdb::MsMs 2864945 HMDB41513 #<Reference:0x000055ce322ae558> Root vegetables Unknown generic