3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate

Base Information

• Chemical Name: 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate
• CAS No.: 17176-44-2
• Molecular Formula: C18H22N5O6PS
• Molecular Weight: 467.4359
• DSSTox Substance ID: DTXSID90274854
• Mol file: 17176-44-2.mol

Synonyms:DTXSID90274854;Thiamine (salt), nicotinate phosphate (1:1:1) (salt);17176-44-2;3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate;Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, 3-pyridinecarboxylate (salt), phosphate (1:1) (salt)

Chemical Property of 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium pyridine-3-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 467.10284161
• Heavy Atom Count: 31
• Complexity: 521

Purity/Quality:

97% ^*data from raw suppliers

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)O.C1=CC(=CN=C1)C(=O)[O-]