Glucosinalbin

Base Information

• Chemical Name: Glucosinalbin
• CAS No.: 19253-84-0
• Molecular Formula: C14H19 N O10 S2
• Molecular Weight: 425.438
• UNII: MZ3RB28MCY
• Wikidata: Q105313908
• Mol file: 19253-84-0.mol

Synonyms:Glucosinalbin;Glucosinalbin-;4-Hydroxybenzyl glucosinolate;MZ3RB28MCY;19253-84-0;((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl) (1E)-2-(4-hydroxyphenyl)-N-sulfooxy-ethanimidothioate;C16H24NO5.C14H18NO10S2;C16-H24-N-O5.C14-H18-N-O10-S2;UNII-MZ3RB28MCY;CHEBI:189937;[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulfooxyethanimidothioate;AKOS040740796;.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-(4-HYDROXY-N-(SULFOOXY)BENZENEETHANIMIDATE);beta-D-Glucopyranose, 1-thio-, 1-(4-hydroxy-N-(sulfooxy)benzeneethanimidate);[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxyphenyl)-N-sulooxyethanimidothioate;[2-[3-(4-Hydroxy-3,5-Dimethoxyphenyl)acryloyloxy]ethyl]trimethylammonium,saltwith 1-thio-beta-d-glucopyranose 1-[4-hydroxy-N-(sulphooxy)phenylacetimidate](1:1);GLUCOPYRANOSE, 1-THIO-, 1-(2-(P-HYDROXYPHENYL)ACETOHYDROXIMATE) NO-(HYDROGEN SULFATE), .BETA.-D-;Glucopyranose, 1-thio-, 1-(2-(p-hydroxyphenyl)acetohydroximate) NO-(hydrogen sulfate), beta-D-

Chemical Property of Glucosinalbin

Chemical Property:

• PKA: -3.01±0.18(Predicted)
• PSA: 220.02000
• Density: 1.79±0.1 g/cm3(Predicted)
• LogP: -0.31850
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 425.04503815
• Heavy Atom Count: 27
• Complexity: 602

Purity/Quality:

98.5% ^*data from raw suppliers

Glucosinalbate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1C/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

Technology Process of Glucosinalbin

There total 1 articles about Glucosinalbin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 4-hydroxybenzyl glucosinolate (19253-84-0)

Guidance literature:

ueber mehrere Zwischenprodukte;

DOI:10.1139/v65-001