1.0 2016-10-03 18:23:50 UTC 2020-04-22 15:46:15 UTC BMDB0011740 BMDB11740 Turanose 3-O-alpha-D-Glucopyranosyl-D-fructose alpha-D-GLCP-(1->3)-D-fru D-(+)-Turanose D-Turanose 3-O-a-D-Glucopyranosyl-D-fructose 3-O-Α-D-glucopyranosyl-D-fructose a-D-GLCP-(1->3)-D-fru Α-D-GLCP-(1->3)-D-fru 3-O-Hexopyranosylhex-2-ulose C12H22O11 342.2965 342.116211546 (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one turanose 547-25-1 OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 RULSWEULPANCDV-PIXUTMIVSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Alkyl glycosides Alpha-hydroxy ketones Beta-hydroxy ketones Disaccharides Fatty alcohols Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Alpha-hydroxy ketone Beta-hydroxy ketone Carbonyl group Disaccharide Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hydrocarbon derivative Ketone O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds glycosylfructose Solid melting_point 168 °C water_solubility 1000 mg/mL at 25 °C logp -4.8 MEYLAN,WM & HOWARD,PH (1995) logp -2.76 ALOGPS logs -0.06 ALOGPS logp -5 ChemAxon pka_strongest_acidic 12.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1 ChemAxon inchikey RULSWEULPANCDV-PIXUTMIVSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 69.98 ChemAxon polarizability 31.33 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2095 Specdb::CMs 2115 Specdb::CMs 9552 Specdb::CMs 32323 Specdb::CMs 32324 Specdb::CMs 39789 Specdb::CMs 138063 Specdb::CMs 145797 Specdb::CMs 148461 Specdb::CMs 148463 Specdb::CMs 148465 Specdb::CMs 148467 Specdb::CMs 279673 Specdb::MsMs 2496 Specdb::MsMs 2497 Specdb::MsMs 2498 Specdb::MsMs 287086 Specdb::MsMs 287087 Specdb::MsMs 287088 Specdb::MsMs 325849 Specdb::MsMs 325850 Specdb::MsMs 325851 Specdb::MsMs 2244677 Specdb::MsMs 2245418 Specdb::MsMs 2246769 Specdb::MsMs 2247537 Specdb::MsMs 2250937 Specdb::MsMs 2251491 Specdb::MsMs 2731003 Specdb::MsMs 2731004 Specdb::MsMs 2731005 Specdb::MsMs 2975324 Specdb::MsMs 2975325 Specdb::MsMs 2975326 Specdb::NmrOneD 151030 Specdb::NmrOneD 151031 Specdb::NmrOneD 151032 Specdb::NmrOneD 151033 Specdb::NmrOneD 151034 Specdb::NmrOneD 151035 Specdb::NmrOneD 151036 Specdb::NmrOneD 151037 Specdb::NmrOneD 151038 Specdb::NmrOneD 151039 Specdb::NmrOneD 151040 Specdb::NmrOneD 151041 Specdb::NmrOneD 151042 Specdb::NmrOneD 151043 Specdb::NmrOneD 151044 Specdb::NmrOneD 151045 Specdb::NmrOneD 151046 Specdb::NmrOneD 151047 Specdb::NmrOneD 151048 Specdb::NmrOneD 151049 FDB002107 4574343 5460935 OTU C19636 32528 C00053105 Turanose