cis-vaccenoyl CoA

Base Information

• Chemical Name: cis-vaccenoyl CoA
• CAS No.: 13673-88-6
• Molecular Formula: C39H68N7O17P3S
• Molecular Weight: 1031.9802
• Mol file: 13673-88-6.mol

Synonyms:coenzyme A, vaccenoyl-;vaccenoyl-CoA;vaccenoyl-coenzyme A

Chemical Property of cis-vaccenoyl CoA

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.51g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 35
• Exact Mass: 1031.36052589
• Heavy Atom Count: 67
• Complexity: 1700

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CCCCCCCCCCC(=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
• Isomeric SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O