1.0 2016-09-30 22:53:34 UTC 2020-04-22 15:10:30 UTC BMDB0002282 BMDB02282 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol N-[(2R,3S,4R)-4-Hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]ethanimidate C14H23NO10 365.3331 365.132195961 N-[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide N-[(4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-yl]acetamide 868264-13-5 [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 MIDRXTGJGROJRO-JFXDCXPESA-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. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl compounds Acetals Acetamides Carbonyl compounds Hydrocarbon derivatives Monosaccharides Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -2.22 ALOGPS logs -0.45 ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12.13 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-yl]acetamide ChemAxon average_mass 365.3331 ChemAxon mono_mass 365.132195961 ChemAxon smiles [H][C@@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)OC=C(NC(C)=O)[C@H]1O ChemAxon formula C14H23NO10 ChemAxon inchi InChI=1S/C14H23NO10/c1-5(18)15-6-4-23-8(3-17)13(9(6)19)25-14-12(22)11(21)10(20)7(2-16)24-14/h4,7-14,16-17,19-22H,2-3H2,1H3,(H,15,18)/t7-,8-,9-,10+,11+,12-,13-,14+/m1/s1 ChemAxon inchikey MIDRXTGJGROJRO-JFXDCXPESA-N ChemAxon polar_surface_area 178.17 ChemAxon refractivity 79.19 ChemAxon polarizability 34.19 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 115958 Specdb::NmrOneD 115959 Specdb::NmrOneD 115960 Specdb::NmrOneD 115961 Specdb::NmrOneD 115962 Specdb::NmrOneD 115963 Specdb::NmrOneD 115964 Specdb::NmrOneD 115965 Specdb::NmrOneD 115966 Specdb::NmrOneD 115967 Specdb::NmrOneD 115968 Specdb::NmrOneD 115969 Specdb::NmrOneD 115970 Specdb::NmrOneD 115971 Specdb::NmrOneD 115972 Specdb::NmrOneD 115973 Specdb::NmrOneD 115974 Specdb::NmrOneD 115975 Specdb::NmrOneD 115976 Specdb::NmrOneD 115977 Specdb::CMs 21235 Specdb::CMs 38354 Specdb::CMs 135275 Specdb::CMs 143009 Specdb::MsMs 313252 Specdb::MsMs 313253 Specdb::MsMs 313254 Specdb::MsMs 358702 Specdb::MsMs 358703 Specdb::MsMs 358704 Specdb::MsMs 2355459 Specdb::MsMs 2355460 Specdb::MsMs 2355461 Specdb::MsMs 2606806 Specdb::MsMs 2606807 Specdb::MsMs 2606808 FDB022945 17216182 22833593 168691