1.0 2010-04-08 22:04:51 UTC 2018-05-28 22:09:30 UTC FDB001135 Xylobiose Major or sole repeating unit in the main xylan chains of the plant xylans, arabinoxylans and glucuronoxylans. Isolated from Scotch pine (Pinus sylvestris). 1,4-beta-Xylobiose 4-O-beta-D-Xylopyranosyl-D-xylose D-xylose, 4-o-beta-d-xylopyranosyl- D-Xylose, 4-O-beta-D-xylopyranosyl- (9CI) Xylobiose Xylobiose (6CI,7CI,8CI) C20H36O18 564.489 564.190164348 2,3,5-trihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentanal; 2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-3,4,5-triol 2,3,5-trihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentanal; 2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-3,4,5-triol 6860-47-5 OCC(OC1OCC(O)C(O)C1O)C(O)C(O)C=O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O InChI=1S/2C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13;11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h3-16H,1-2H2;1,4-10,12-17H,2-3H2 ATVGVLPKFWOETP-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 Acetals Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Disaccharides Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol melting_point Mp 185-190° logp -4.1 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,3,5-trihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentanal; 2-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxane-3,4,5-triol ChemAxon average_mass 564.489 ChemAxon mono_mass 564.190164348 ChemAxon smiles OCC(OC1OCC(O)C(O)C1O)C(O)C(O)C=O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O ChemAxon formula C20H36O18 ChemAxon inchi InChI=1S/2C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13;11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h3-16H,1-2H2;1,4-10,12-17H,2-3H2 ChemAxon inchikey ATVGVLPKFWOETP-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 57.83 ChemAxon polarizability 25.62 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96837 Specdb::MsMs 96838 Specdb::MsMs 96839 Specdb::MsMs 161421 Specdb::MsMs 161422 Specdb::MsMs 161423