1.0 2010-04-08 22:05:14 UTC 2020-02-24 19:10:25 UTC FDB002110 Dihydromaleimide beta-D-glucoside Alkaloid from Pisum sativum (peas). Dihydromaleimide beta-D-glucoside is found in pulses and common pea. Dihydromaleimide b-D-glucoside Isosuccinimide b-D-glucoside C10H15NO7 261.2286 261.084851839 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydro-1H-pyrrol-2-one 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,5-dihydropyrrol-2-one 26696-59-3 OCC1OC(OC2NC(=O)C=C2)C(O)C(O)C1O InChI=1S/C10H15NO7/c12-3-4-7(14)8(15)9(16)10(17-4)18-6-2-1-5(13)11-6/h1-2,4,6-10,12,14-16H,3H2,(H,11,13) CAXBOXWWAIDBMS-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 Azacyclic compounds Cyclic carboximidic acids Hexoses Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Azacycle Cyclic carboximidic acid Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Propargyl-type 1,3-dipolar organic compound Secondary alcohol logp -2.40 ALOGPS logs -0.05 ALOGPS solubility 2.35e+02 g/l ALOGPS melting_point Mp 185-188° logp -2.6 ChemAxon pka_strongest_acidic 10.21 ChemAxon pka_strongest_basic -0.2 ChemAxon iupac 5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,5-dihydro-1H-pyrrol-2-one ChemAxon average_mass 261.2286 ChemAxon mono_mass 261.084851839 ChemAxon smiles OCC1OC(OC2NC(=O)C=C2)C(O)C(O)C1O ChemAxon formula C10H15NO7 ChemAxon inchi InChI=1S/C10H15NO7/c12-3-4-7(14)8(15)9(16)10(17-4)18-6-2-1-5(13)11-6/h1-2,4,6-10,12,14-16H,3H2,(H,11,13) ChemAxon inchikey CAXBOXWWAIDBMS-UHFFFAOYSA-N ChemAxon polar_surface_area 128.48 ChemAxon refractivity 56.64 ChemAxon polarizability 24.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9388 Specdb::CMs 41856 Specdb::CMs 172042 Specdb::MsMs 79515 Specdb::MsMs 79516 Specdb::MsMs 79517 Specdb::MsMs 140142 Specdb::MsMs 140143 Specdb::MsMs 140144 Specdb::MsMs 2719872 Specdb::MsMs 2719873 Specdb::MsMs 2719874 Specdb::MsMs 2959074 Specdb::MsMs 2959075 Specdb::MsMs 2959076 Specdb::NmrOneD 161029 Specdb::NmrOneD 161030 Specdb::NmrOneD 161031 Specdb::NmrOneD 161032 Specdb::NmrOneD 161033 Specdb::NmrOneD 161034 Specdb::NmrOneD 161035 Specdb::NmrOneD 161036 Specdb::NmrOneD 161037 Specdb::NmrOneD 161038 Specdb::NmrOneD 161039 Specdb::NmrOneD 161040 Specdb::NmrOneD 161041 Specdb::NmrOneD 161042 Specdb::NmrOneD 161043 Specdb::NmrOneD 161044 Specdb::NmrOneD 161045 Specdb::NmrOneD 161046 Specdb::NmrOneD 161047 Specdb::NmrOneD 161048 HMDB30277 #<Reference:0x000055ce3235aab0> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic