S-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] pent-3-ynethioate

Base Information

• Chemical Name: S-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] pent-3-ynethioate
• CAS No.: 50304-43-3
• Molecular Formula: C16H26 N2 O5 S
• Molecular Weight: 358.45
• DSSTox Substance ID: DTXSID50964582
• Wikidata: Q82946588
• Mol file: 50304-43-3.mol

Synonyms:3-pentynoylpantetheine

Chemical Property of S-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] pent-3-ynethioate

Chemical Property:

• Vapor Pressure: 5E-22mmHg at 25°C
• Boiling Point: 689.9°C at 760 mmHg
• Flash Point: 371.1°C
• Density: 1.217g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 358.15624311
• Heavy Atom Count: 24
• Complexity: 507

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC#CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)O
• Isomeric SMILES: CC#CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O