Emiglitate

Base Information

• Chemical Name: Emiglitate
• CAS No.: 80879-63-6
• Molecular Formula: C17H25 N O7
• Molecular Weight: 355.388
• European Community (EC) Number: 279-613-2
• UNII: PF8AB2IBUM
• DSSTox Substance ID: DTXSID2048799
• Nikkaji Number: J22.810I
• NCI Thesaurus Code: C90615
• ChEMBL ID: CHEMBL2106304
• Mol file: 80879-63-6.mol

Synonyms:BAY o 1248;BAY-o 1248;BAY-o-1248;emiglitate;N-(beta-(4-ethoxycarbonyl)phenoxy)ethyl-1-desoxy-nojirimycin;N-(beta-(4-ethoxycarbonyl)phenoxy)ethyl-1-desoxynojirimycin

Chemical Property of Emiglitate

Chemical Property:

• Vapor Pressure: 2.66E-14mmHg at 25°C
• Boiling Point: 580.2°C at 760 mmHg
• PKA: 13.68±0.70(Predicted)
• Flash Point: 304.7°C
• Density: 1.328g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 355.16310214
• Heavy Atom Count: 25
• Complexity: 414

Purity/Quality:

95-99% ^*data from raw suppliers

EMIGLITATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)OCCN2CC(C(C(C2CO)O)O)O
• Isomeric SMILES: CCOC(=O)C1=CC=C(C=C1)OCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O