1.0 2010-04-08 22:14:17 UTC 2025-11-19 02:19:07 UTC FDB019341 Centose Constituent of honey. Patented for food use Centose C18H32O16 504.4371 504.169034976 2-{[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 83788-45-8 OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2 GRDHQWBQPQWUOG-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.72 ALOGPS logs 0.06 ALOGPS solubility 5.83e+02 g/l ALOGPS logp -6.5 ChemAxon pka_strongest_acidic 11.23 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[2,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)30-16(29)15(13(14)28)34-18-12(27)10(25)8(23)5(2-20)32-18/h4-29H,1-3H2 ChemAxon inchikey GRDHQWBQPQWUOG-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 100.75 ChemAxon polarizability 47.58 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8888 Specdb::MsMs 8889 Specdb::MsMs 8890 Specdb::MsMs 15560 Specdb::MsMs 15561 Specdb::MsMs 15562 Specdb::MsMs 2378326 Specdb::MsMs 2378327 Specdb::MsMs 2378328 Specdb::MsMs 2557518 Specdb::MsMs 2557519 Specdb::MsMs 2557520 Specdb::CMs 14191 Specdb::CMs 46100 Specdb::CMs 169609 Specdb::CMs 169611 Specdb::CMs 169613 Specdb::CMs 169615 Specdb::CMs 169617 Specdb::CMs 169619 Specdb::CMs 169621 Specdb::CMs 169623 Specdb::CMs 169625 Specdb::CMs 169628 Specdb::CMs 169630 Specdb::CMs 169632 Specdb::CMs 169634 Specdb::CMs 169637 Specdb::CMs 280655 Specdb::NmrOneD 29562 Specdb::NmrOneD 29563 Specdb::NmrOneD 29564 Specdb::NmrOneD 29565 Specdb::NmrOneD 29566 Specdb::NmrOneD 29567 Specdb::NmrOneD 29568 Specdb::NmrOneD 29569 Specdb::NmrOneD 29570 Specdb::NmrOneD 29571 Specdb::NmrOneD 29572 Specdb::NmrOneD 29573 Specdb::NmrOneD 29574 Specdb::NmrOneD 29575 Specdb::NmrOneD 29576 Specdb::NmrOneD 29577 Specdb::NmrOneD 29578 Specdb::NmrOneD 29579 Specdb::NmrOneD 29580 Specdb::NmrOneD 29581 HMDB38851 #<Reference:0x000055ce2f231790>