1.0 2010-04-08 22:13:18 UTC 2019-11-26 03:15:13 UTC FDB017786 2-Hydroxypropyl glucosinolate Present in horseradish (Armoracia lapathifolia). 2-Hydroxypropyl glucosinolate is found in horseradish and brassicas. 1-Thio-b-D-glucopyranose 1-[3-hydroxy-N-(sulfooxy)butanimidate], 9CI C10H19NO10S2 377.389 377.045037213 {[(E)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid [(E)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxysulfonic acid 76265-21-9 CC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O InChI=1S/C10H19NO10S2/c1-4(13)2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(3-12)20-10/h4-5,7-10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-6+ GUFJTWBPQBCRFN-IZZDOVSWSA-N belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Alkylglucosinolates Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Monothioacetals Organic oxides Organic sulfuric acids and derivatives Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sulfenyl compounds Thioglycosides Alcohol Aliphatic heteromonocyclic compound Alkylglucosinolate Glycosyl compound Hydrocarbon derivative Monothioacetal Organic nitrogen compound Organic oxide Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfur compound Oxacycle Oxane Polyol Primary alcohol S-glycosyl compound Secondary alcohol Sulfenyl compound logp -1.88 ALOGPS logs -0.93 ALOGPS solubility 4.44e+01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic -3.6 ChemAxon pka_strongest_basic -0.48 ChemAxon iupac {[(E)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid ChemAxon average_mass 377.389 ChemAxon mono_mass 377.045037213 ChemAxon smiles CC(O)C\C(SC1OC(CO)C(O)C(O)C1O)=N/OS(O)(=O)=O ChemAxon formula C10H19NO10S2 ChemAxon inchi InChI=1S/C10H19NO10S2/c1-4(13)2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(3-12)20-10/h4-5,7-10,12-16H,2-3H2,1H3,(H,17,18,19)/b11-6+ ChemAxon inchikey GUFJTWBPQBCRFN-IZZDOVSWSA-N ChemAxon polar_surface_area 186.34 ChemAxon refractivity 76.25 ChemAxon polarizability 34.37 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22248 Specdb::CMs 45827 Specdb::CMs 136898 Specdb::CMs 144632 Specdb::MsMs 55530 Specdb::MsMs 55531 Specdb::MsMs 55532 Specdb::MsMs 110694 Specdb::MsMs 110695 Specdb::MsMs 110696 Specdb::MsMs 2284102 Specdb::MsMs 2284103 Specdb::MsMs 2284104 Specdb::MsMs 3081327 Specdb::MsMs 3081328 Specdb::MsMs 3081329 Specdb::NmrOneD 26622 Specdb::NmrOneD 26623 Specdb::NmrOneD 26624 Specdb::NmrOneD 26625 Specdb::NmrOneD 26626 Specdb::NmrOneD 26627 Specdb::NmrOneD 26628 Specdb::NmrOneD 26629 Specdb::NmrOneD 26630 Specdb::NmrOneD 26631 Specdb::NmrOneD 26632 Specdb::NmrOneD 26633 Specdb::NmrOneD 26634 Specdb::NmrOneD 26635 Specdb::NmrOneD 26636 Specdb::NmrOneD 26637 Specdb::NmrOneD 26638 Specdb::NmrOneD 26639 Specdb::NmrOneD 26640 Specdb::NmrOneD 26641 HMDB38428 #<Reference:0x000055ce32662988> Brassicas Unknown generic 3705 Horseradish Type 1 specific Armoracia rusticana 3704