1.0 2010-04-08 22:08:02 UTC 2019-11-26 03:02:31 UTC FDB008351 Hexyl glucoside Constituent of Citrus subspecies and apples (Malus sylvestris). Hexyl glucoside is found in malus (crab apple), pomes, and citrus. (-)-n-Hexyl-beta-D-glucopyranoside BHG Hexyl beta-d-glucopyranoside Hexyl glucoside n-Hexyl-beta-D-glucopyranoside C12H24O6 264.3154 264.1572885 2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol β-hexylgalactopyranoside 59080-45-4 CCCCCCOC1OC(CO)C(O)C(O)C1O InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3 JVAZJLFFSJARQM-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.14 ALOGPS logs -0.67 ALOGPS solubility 5.70e+01 g/l ALOGPS melting_point Mp 51.5° (as tetra-Ac) logp -0.076 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 264.3154 ChemAxon mono_mass 264.1572885 ChemAxon smiles CCCCCCOC1OC(CO)C(O)C(O)C1O ChemAxon formula C12H24O6 ChemAxon inchi InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3 ChemAxon inchikey JVAZJLFFSJARQM-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 63.75 ChemAxon polarizability 28.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20087 Specdb::CMs 42576 Specdb::CMs 136290 Specdb::CMs 144024 Specdb::MsMs 13136 Specdb::MsMs 13137 Specdb::MsMs 13138 Specdb::MsMs 19808 Specdb::MsMs 19809 Specdb::MsMs 19810 Specdb::MsMs 2838030 Specdb::MsMs 2838031 Specdb::MsMs 2838032 Specdb::MsMs 2867106 Specdb::MsMs 2867107 Specdb::MsMs 2867108 Specdb::NmrOneD 19642 Specdb::NmrOneD 19643 Specdb::NmrOneD 19644 Specdb::NmrOneD 19645 Specdb::NmrOneD 19646 Specdb::NmrOneD 19647 Specdb::NmrOneD 19648 Specdb::NmrOneD 19649 Specdb::NmrOneD 19650 Specdb::NmrOneD 19651 Specdb::NmrOneD 19652 Specdb::NmrOneD 19653 Specdb::NmrOneD 19654 Specdb::NmrOneD 19655 Specdb::NmrOneD 19656 Specdb::NmrOneD 19657 Specdb::NmrOneD 19658 Specdb::NmrOneD 19659 Specdb::NmrOneD 19660 Specdb::NmrOneD 19661 HMDB31688 #<Reference:0x000055ce31ee9ee0> Citrus Unknown generic Malus (Crab apple) Type 1 specific Malus 3749 Pomes Unknown generic