1.0 2010-04-08 22:04:50 UTC 2018-05-28 22:09:28 UTC FDB001115 Neotrehalose Constituent of honey. a-D-Glucopyranosyl b-D-glucopyranoside b-D-Glucopyranosyl a-D-glucopyranoside, 9CI, 8CI Neotrehalose C12H22O11 342.2965 342.116211546 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol α,β-trehalose 585-91-1 OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2 HDTRYLNUVZCQOY-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 Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol alpha-D-glucoside beta-D-glucoside trehalose Liquid logp -2.98 ALOGPS logs 0.24 ALOGPS solubility 5.92e+02 g/l ALOGPS melting_point Mp 149° logp -4.7 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2 ChemAxon inchikey HDTRYLNUVZCQOY-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 30.81 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 148783 Specdb::CMs 148785 Specdb::CMs 148787 Specdb::CMs 148789 Specdb::CMs 148791 Specdb::CMs 148794 Specdb::CMs 148796 Specdb::CMs 148798 Specdb::CMs 148800 Specdb::CMs 148802 Specdb::CMs 148804 Specdb::CMs 148807 Specdb::CMs 148809 Specdb::CMs 148811 Specdb::CMs 148813 Specdb::CMs 148815 Specdb::CMs 148817 Specdb::CMs 148819 Specdb::CMs 148821 Specdb::CMs 148823 Specdb::CMs 148825 Specdb::CMs 148827 Specdb::CMs 148829 Specdb::CMs 148831 Specdb::CMs 148833 Specdb::MsMs 2814101 Specdb::MsMs 2814102 Specdb::MsMs 2814103 Specdb::MsMs 2892102 Specdb::MsMs 2892103 Specdb::MsMs 2892104 Specdb::NmrOneD 16482 Specdb::NmrOneD 16483 Specdb::NmrOneD 16484 Specdb::NmrOneD 16485 Specdb::NmrOneD 16486 Specdb::NmrOneD 16487 Specdb::NmrOneD 16488 Specdb::NmrOneD 16489 Specdb::NmrOneD 16490 Specdb::NmrOneD 16491 Specdb::NmrOneD 16492 Specdb::NmrOneD 16493 Specdb::NmrOneD 16494 Specdb::NmrOneD 16495 Specdb::NmrOneD 16496 Specdb::NmrOneD 16497 Specdb::NmrOneD 16498 Specdb::NmrOneD 16499 Specdb::NmrOneD 16500 Specdb::NmrOneD 16501 HMDB29880 #<Reference:0x000055ce308200b0>