Cypripedin

Base Information

• Chemical Name: Cypripedin
• CAS No.: 8031-72-9
• Molecular Formula: C16H12O5
• Molecular Weight: 284.2635
• DSSTox Substance ID: DTXSID00230249
• Nikkaji Number: J156.539G
• Wikidata: Q27106295
• Metabolomics Workbench ID: 68325
• ChEMBL ID: CHEMBL600127
• Mol file: 8031-72-9.mol

Synonyms:2,8-dimethoxy-7-hydroxy-1,4-phenanthraquinone;cypripedin

Chemical Property of Cypripedin

Chemical Property:

• Vapor Pressure: 1.89E-11mmHg at 25°C
• Boiling Point: 520.4°Cat760mmHg
• Flash Point: 199°C
• PSA: 72.83000
• Density: 1.42g/cm³
• LogP: 2.46330
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 284.06847348
• Heavy Atom Count: 21
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=O)C2=C(C1=O)C=CC3=C2C=CC(=C3OC)O

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