Thymotrinan

Base Information

• Chemical Name: Thymotrinan
• CAS No.: 85465-82-3
• Molecular Formula: C16H31 N7 O6
• Molecular Weight: 417.46
• UNII: 29OE04A6C9
• DSSTox Substance ID: DTXSID60234687
• Nikkaji Number: J561.852E
• Wikidata: Q27254434
• NCI Thesaurus Code: C76688
• Metabolomics Workbench ID: 79679
• ChEMBL ID: CHEMBL2105488
• Mol file: 85465-82-3.mol

Synonyms:Arg-Lys-Asp;arginyl-lysyl-aspartic acid;RGH 0205;RGH-0205

Chemical Property of Thymotrinan

Chemical Property:

• PSA: 246.74000
• Density: 1.51g/cm³
• LogP: 0.60820
• Storage Temp.: -15°C
• Water Solubility.: Soluble in water
• XLogP3: -8.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 15
• Exact Mass: 417.23358173
• Heavy Atom Count: 29
• Complexity: 594

Purity/Quality:

99%+, ^*data from raw suppliers

THYMOTRINAN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN)CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)N
• Isomeric SMILES: C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N