Thiamine phosphoric acid ester

Base Information

• Chemical Name: Thiamine phosphoric acid ester
• CAS No.: 495-23-8
• Molecular Formula: C₁₂H₁₇N₄O₄PS
• Molecular Weight: 344.331
• European Community (EC) Number: 600-039-9
• UNII: 71F2V60NN0
• DSSTox Substance ID: DTXSID501114461
• Wikipedia: Thiamine_monophosphate
• Wikidata: Q27094344
• Metabolomics Workbench ID: 38188

Synonyms:Monophosphate, Thiamine;Phosphoester, Thiamine;Thiamine Monophosphate;Thiamine Phosphoester

Chemical Property of Thiamine phosphoric acid ester

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 344.07081321
• Heavy Atom Count: 22
• Complexity: 410

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-]

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