6-Thioxanthine 5'-monophosphate

Base Information

• Chemical Name: 6-Thioxanthine 5'-monophosphate
• CAS No.: 3237-49-8
• Molecular Formula: C10H13 N4 O8 P S
• Molecular Weight: 380.27
• DSSTox Substance ID: DTXSID10186086
• Nikkaji Number: J2.804.101B
• Wikidata: Q27149658
• Metabolomics Workbench ID: 78630
• Mol file: 3237-49-8.mol

Synonyms:6-thioxanthine 5'-monophosphate;TXMP

Chemical Property of 6-Thioxanthine 5'-monophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 228.89000
• Density: 2.39g/cm³
• LogP: -1.45090
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 380.01917156
• Heavy Atom Count: 24
• Complexity: 589

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=O)NC2=S
• Isomeric SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=S

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