1.0 2010-04-08 22:10:49 UTC 2025-11-19 00:20:19 UTC FDB013634 (x)-2-Heptanol glucoside Occurs in oil of ginger (Zingiber officinale). (x)-2-Heptanol glucoside is found in herbs and spices. (x)-2-Heptanol glucoside (x)-2-Heptanol O-b-D-glucopyranoside (x)-2-Heptanol O-b-D-glucoside C13H26O6 278.3419 278.172938564 2-(heptan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-(heptan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol 95-01-2 CCCCCC(C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C13H26O6/c1-3-4-5-6-8(2)18-13-12(17)11(16)10(15)9(7-14)19-13/h8-17H,3-7H2,1-2H3 NZLSMMMVSHTELV-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 0.58 ALOGPS logs -0.87 ALOGPS solubility 3.78e+01 g/l ALOGPS logp 0.34 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(heptan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 278.3419 ChemAxon mono_mass 278.172938564 ChemAxon smiles CCCCCC(C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C13H26O6 ChemAxon inchi InChI=1S/C13H26O6/c1-3-4-5-6-8(2)18-13-12(17)11(16)10(15)9(7-14)19-13/h8-17H,3-7H2,1-2H3 ChemAxon inchikey NZLSMMMVSHTELV-UHFFFAOYSA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 68.17 ChemAxon polarizability 30.43 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21957 Specdb::CMs 44140 Specdb::CMs 162400 Specdb::MsMs 10418 Specdb::MsMs 10419 Specdb::MsMs 10420 Specdb::MsMs 17090 Specdb::MsMs 17091 Specdb::MsMs 17092 Specdb::MsMs 2667769 Specdb::MsMs 2667770 Specdb::MsMs 2667771 Specdb::MsMs 3014114 Specdb::MsMs 3014115 Specdb::MsMs 3014116 Specdb::NmrOneD 129578 Specdb::NmrOneD 129579 Specdb::NmrOneD 129580 Specdb::NmrOneD 129581 Specdb::NmrOneD 129582 Specdb::NmrOneD 129583 Specdb::NmrOneD 129584 Specdb::NmrOneD 129585 Specdb::NmrOneD 129586 Specdb::NmrOneD 129587 Specdb::NmrOneD 129588 Specdb::NmrOneD 129589 Specdb::NmrOneD 129590 Specdb::NmrOneD 129591 Specdb::NmrOneD 129592 Specdb::NmrOneD 129593 Specdb::NmrOneD 129594 Specdb::NmrOneD 129595 Specdb::NmrOneD 129596 Specdb::NmrOneD 129597 HMDB35028 #<Reference:0x000055ce30d38250> Herbs and Spices Unknown generic