1-S-[(1Z)-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose

Base Information

• Chemical Name: 1-S-[(1Z)-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose
• CAS No.: 499-30-9
• Molecular Formula: C15H21 N O9 S2
• Molecular Weight: 423.465
• European Community (EC) Number: 805-217-1
• ChEMBL ID: CHEMBL3140279
• Nikkaji Number: J390.323K
• Wikidata: Q412097
• Wikipedia: Gluconasturtiin
• Mol file: 499-30-9.mol

Synonyms:1-S-((1E)-3-Phenyl-N-(sulfooxy)propanimidoyl)-1-thio-beta-D-glucopyranose;2-phenylethyl glucosinolate;gluconasturtiin;phenethylglucosinolate

Chemical Property of 1-S-[(1Z)-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose

Chemical Property:

• Refractive Index: 1.7500 (estimate)
• PKA: -3.04±0.18(Predicted)
• PSA: 199.79000
• Density: 1.65 g/cm³
• LogP: 0.36600
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 423.06577359
• Heavy Atom Count: 27
• Complexity: 589

Purity/Quality:

98%,99%, ^*data from raw suppliers

GLUCONASTURTIIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: C1=CC=C(C=C1)CC/C(=N/OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• Uses: Gluconasturtiin Potassium Salt is a glucosinolate natural compound which is a component of many pungent plants. Potential antiinflammatory and anticancer agent.

Technology Process of 1-S-[(1Z)-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose

There total 1 articles about 1-S-[(1Z)-3-phenyl-N-(sulfooxy)propanimidoyl]-1-thio-beta-D-glucopyranose 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:

→ 2-phenylethyl glucosinolate (499-30-9)

Guidance literature:

Tetraacetyl-gluconasturiin, mit Ammoniak gesaettiger Methanol;