1.0 2010-04-08 22:14:18 UTC 2025-11-19 02:19:16 UTC FDB019366 Trehalulose Anticaries sweetening agent 1-O-alpha-D-Glucopyranosyl-D-fructose Trehalulose C12H22O11 342.2965 342.116211546 2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol 51411-23-5 OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2 NMXLJRHBJVMYPD-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 Aliphatic heteromonocyclic compounds Acetals C-glycosyl compounds Disaccharides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -3.23 ALOGPS logs 0.31 ALOGPS solubility 6.96e+02 g/l ALOGPS melting_point Mp 90-95° logp -4.5 ChemAxon pka_strongest_acidic 10.26 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}oxane-3,4,5-triol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OCC1OC(O)(COC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-3-12(20)10(19)7(16)5(2-14)23-12/h4-11,13-20H,1-3H2 ChemAxon inchikey NMXLJRHBJVMYPD-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.77 ChemAxon polarizability 31.81 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26527 Specdb::CMs 46540 Specdb::CMs 133857 Specdb::CMs 141591 Specdb::MsMs 49959 Specdb::MsMs 49960 Specdb::MsMs 49961 Specdb::MsMs 134082 Specdb::MsMs 134083 Specdb::MsMs 134084 Specdb::MsMs 2261722 Specdb::MsMs 2261723 Specdb::MsMs 2261724 Specdb::MsMs 3077352 Specdb::MsMs 3077353 Specdb::MsMs 3077354 Specdb::NmrOneD 35602 Specdb::NmrOneD 35603 Specdb::NmrOneD 35604 Specdb::NmrOneD 35605 Specdb::NmrOneD 35606 Specdb::NmrOneD 35607 Specdb::NmrOneD 35608 Specdb::NmrOneD 35609 Specdb::NmrOneD 35610 Specdb::NmrOneD 35611 Specdb::NmrOneD 35612 Specdb::NmrOneD 35613 Specdb::NmrOneD 35614 Specdb::NmrOneD 35615 Specdb::NmrOneD 35616 Specdb::NmrOneD 35617 Specdb::NmrOneD 35618 Specdb::NmrOneD 35619 Specdb::NmrOneD 35620 Specdb::NmrOneD 35621 HMDB39727 #<Reference:0x000055ce32ca1dd0>