Isocromadurine

Base Information

• Chemical Name: Isocromadurine
• CAS No.: 6029-87-4
• Molecular Formula: C16H23 N O5
• Molecular Weight: 309.40
• European Community (EC) Number: 814-110-9
• UNII: 8FS62J40NX
• Nikkaji Number: J2.773.011F
• Wikidata: Q27106682
• Metabolomics Workbench ID: 69428
• Mol file: 6029-87-4.mol

Synonyms:fulvine;fulvine, (12xi,13xi)-isomer;fulvine, (14alpha)-isomer

Chemical Property of Isocromadurine

Chemical Property:

• Vapor Pressure: 1.59E-14mmHg at 25°C
• Melting Point: 212.5°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 552.8°C at 760 mmHg
• Flash Point: 288.1°C
• PSA: 76.07000
• Density: 1.27g/cm³
• LogP: 0.43040
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 309.15762283
• Heavy Atom Count: 22
• Complexity: 531

Purity/Quality:

99% ^*data from raw suppliers

Fulvine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C
• Isomeric SMILES: C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C