1.0 2010-04-08 22:15:34 UTC 2025-11-19 02:36:26 UTC FDB021260 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin From Morus alba (white mulberry). 2-O-alpha-D-Galactopyranosyl-1-deoxynojirimycin is found in fruits. 2-O-a-D-Galactopyranosyl-1-deoxynojirimycin C12H23NO9 325.3123 325.137281339 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 155168-05-1 OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2 CQLSQWAVFSEMIE-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 1,2-aminoalcohols Acetals Azacyclic compounds Dialkylamines Hexoses Hydrocarbon derivatives Organopnictogen compounds Oxacyclic compounds Oxanes Piperidines Polyols Primary alcohols Secondary alcohols 1,2-aminoalcohol Acetal Alcohol Aliphatic heteromonocyclic compound Amine Azacycle Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Piperidine Polyol Primary alcohol Secondary alcohol Secondary aliphatic amine Secondary amine logp -2.70 ALOGPS logs -0.10 ALOGPS solubility 2.61e+02 g/l ALOGPS logp -4.7 ChemAxon pka_strongest_acidic 12.14 ChemAxon pka_strongest_basic 7.99 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 325.3123 ChemAxon mono_mass 325.137281339 ChemAxon smiles OCC1NCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C12H23NO9 ChemAxon inchi InChI=1S/C12H23NO9/c14-2-4-7(16)8(17)5(1-13-4)21-12-11(20)10(19)9(18)6(3-15)22-12/h4-20H,1-3H2 ChemAxon inchikey CQLSQWAVFSEMIE-UHFFFAOYSA-N ChemAxon polar_surface_area 172.1 ChemAxon refractivity 68.99 ChemAxon polarizability 31.39 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 8 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6617 Specdb::MsMs 6618 Specdb::MsMs 6619 Specdb::MsMs 13289 Specdb::MsMs 13290 Specdb::MsMs 13291 Specdb::MsMs 2831968 Specdb::MsMs 2831969 Specdb::MsMs 2831970 Specdb::MsMs 2850001 Specdb::MsMs 2850002 Specdb::MsMs 2850003 Specdb::CMs 24284 Specdb::CMs 47264 Specdb::CMs 147486 Specdb::CMs 147487 Specdb::CMs 147489 Specdb::CMs 147492 Specdb::CMs 147494 Specdb::CMs 147496 Specdb::CMs 147498 Specdb::CMs 147500 Specdb::CMs 147502 Specdb::CMs 147504 Specdb::CMs 147506 Specdb::CMs 147508 Specdb::CMs 147510 Specdb::CMs 147512 Specdb::CMs 147514 Specdb::CMs 156602 Specdb::CMs 279616 Specdb::NmrOneD 46282 Specdb::NmrOneD 46283 Specdb::NmrOneD 46284 Specdb::NmrOneD 46285 Specdb::NmrOneD 46286 Specdb::NmrOneD 46287 Specdb::NmrOneD 46288 Specdb::NmrOneD 46289 Specdb::NmrOneD 46290 Specdb::NmrOneD 46291 Specdb::NmrOneD 46292 Specdb::NmrOneD 46293 Specdb::NmrOneD 46294 Specdb::NmrOneD 46295 Specdb::NmrOneD 46296 Specdb::NmrOneD 46297 Specdb::NmrOneD 46298 Specdb::NmrOneD 46299 Specdb::NmrOneD 46300 Specdb::NmrOneD 46301 HMDB41337 #<Reference:0x000055ce31d4b3b8> Fruits Unknown generic