Glunicate

Base Information

• Chemical Name: Glunicate
• CAS No.: 80763-86-6
• Molecular Formula: C36H28 N6 O10
• Molecular Weight: 704.64
• UNII: C62ZH19B0L
• Nikkaji Number: J22.933D
• Wikidata: Q27275242
• NCI Thesaurus Code: C87632
• ChEMBL ID: CHEMBL2106431
• Mol file: 80763-86-6.mol

Synonyms:2-(3-pyridinecarbonylamino)-2-deoxyglucose tetra-3-pyridinecarboxylate;glunicate;LG 13979;LG-13979

Chemical Property of Glunicate

Chemical Property:

• Vapor Pressure: 1.39E-32mmHg at 25°C
• Boiling Point: 893.3°C at 760 mmHg
• PKA: 9.86±0.70(Predicted)
• Flash Point: 494.1°C
• PSA: 207.98000
• Density: 1.48g/cm³
• LogP: 3.04100
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 15
• Exact Mass: 704.18669111
• Heavy Atom Count: 52
• Complexity: 1240

Purity/Quality:

99% ^*data from raw suppliers

GLUNICATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)NC2C(C(C(OC2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6
• Isomeric SMILES: C1=CC(=CN=C1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6