Pteryxin

Base Information

• Chemical Name: Pteryxin
• CAS No.: 13161-75-6
• Molecular Formula: C₂₁H₂₂O₇
• Molecular Weight: 386.401
• UNII: C1G8A9744Z
• ChEMBL ID: CHEMBL1884860
• Metabolomics Workbench ID: 70242
• Nikkaji Number: J13.914I
• Wikidata: Q27108120
• Mol file: 13161-75-6.mol

Synonyms:pteryxin

Chemical Property of Pteryxin

Chemical Property:

• Vapor Pressure: 1.25E-09mmHg at 25°C
• Melting Point: 81℃
• Boiling Point: 486.8°C at 760 mmHg
• Flash Point: 211.6°C
• PSA: 92.04000
• Density: 1.28±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: 3.44620
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 386.13655304
• Heavy Atom Count: 28
• Complexity: 720

Purity/Quality:

98% ^*data from raw suppliers

Pteryxin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C