Tetrahydropentoxyline

Base Information

• Chemical Name: Tetrahydropentoxyline
• CAS No.: 154204-09-8
• Molecular Formula: C17H22 N2 O7
• Molecular Weight: 366.37
• DSSTox Substance ID: DTXSID80934955
• Metabolomics Workbench ID: 71644
• Mol file: 154204-09-8.mol

Synonyms:1-(1',2',3',4',5'-pentahydroxypentyl)-1,2,3,-tetrahydro-2-carboline-3-carboxylic acid;tetrahydropentoxyline

Chemical Property of Tetrahydropentoxyline

Chemical Property:

• Vapor Pressure: 1.2E-30mmHg at 25°C
• Boiling Point: 848.9°Cat760mmHg
• Flash Point: 467.2°C
• PSA: 166.27000
• Density: 1.587g/cm³
• LogP: -1.42740
• XLogP3: -4.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 366.14270105
• Heavy Atom Count: 26
• Complexity: 508

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(NC(C2=C1C3=CC=CC=C3N2)C(C(C(C(CO)O)O)O)O)C(=O)O
• Isomeric SMILES: C1C(NC(C2=C1C3=CC=CC=C3N2)[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)C(=O)O

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