stearoyl-CoA

Base Information

• Chemical Name: stearoyl-CoA
• CAS No.: 362-66-3
• Molecular Formula: C39H70N7O17P3S
• Molecular Weight: 1033.9961
• European Community (EC) Number: 206-648-2
• UNII: OBC49BV194
• DSSTox Substance ID: DTXSID80863110
• Nikkaji Number: J426.067H
• Wikipedia: Stearoyl-CoA
• Wikidata: Q15427851
• Metabolomics Workbench ID: 50152
• Mol file: 362-66-3.mol

Synonyms:coenzyme A, stearoyl-;stearoyl-CoA;stearoyl-coenzyme A;stearyl-CoA

Chemical Property of stearoyl-CoA

Chemical Property:

• Refractive Index: 1.626
• PSA: 418.36000
• Density: 1.51 g/cm³
• LogP: 6.28920
• Storage Temp.: Store at 0°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 36
• Exact Mass: 1033.37617596
• Heavy Atom Count: 67
• Complexity: 1660

Purity/Quality:

99% ^*data from raw suppliers

Stearoyl coenzyme A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=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: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O