Thiamine triphosphate

Base Information

• Chemical Name: Thiamine triphosphate
• CAS No.: 50851-39-3
• Molecular Formula: C₁₂H₂₀N₄O₁₀P₃S
• Molecular Weight: 505.299
• DSSTox Substance ID: DTXSID90864613
• Nikkaji Number: J350.389E,J791.117C
• Wikipedia: Thiamine_triphosphate
• Wikidata: Q27108430
• Metabolomics Workbench ID: 67395
• ChEMBL ID: CHEMBL3307173
• Mol file: 50851-39-3.mol

Synonyms:Thiamin Triphosphate;Thiamine Triphosphate;Triphosphate, Thiamin;Triphosphate, Thiamine

Chemical Property of Thiamine triphosphate

Chemical Property:

• XLogP3: -2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 505.01130001
• Heavy Atom Count: 30
• Complexity: 728

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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