S-Acetyl-3-mercaptopropanoyl-coa

Base Information

• Chemical Name: S-Acetyl-3-mercaptopropanoyl-coa
• CAS No.: 97919-43-2
• Molecular Formula: C26H42 N7 O18 P3 S2
• Molecular Weight: 897.69
• DSSTox Substance ID: DTXSID40913544
• Mol file: 97919-43-2.mol

Synonyms:coenzyme A, S-acetyl-3-mercaptopropanoyl-;S-acetyl-3-mercaptopropanoyl-CoA;S-acetyl-3-mercaptopropanoyl-coenzyme A

Chemical Property of S-Acetyl-3-mercaptopropanoyl-coa

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.85g/cm³
• LogP: 0.00000
• XLogP3: -5.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 24
• Exact Mass: 897.12406086
• Heavy Atom Count: 56
• Complexity: 1530

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)SCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O