Eicosanoyl-CoA

Base Information

• Chemical Name: Eicosanoyl-CoA
• CAS No.: 15895-27-9
• Molecular Formula: C₄₁H₇₄N₇O₁₇P₃S
• Molecular Weight: 1062.06
• DSSTox Substance ID: DTXSID601317430
• Nikkaji Number: J711.246G
• Wikidata: Q27098079
• Metabolomics Workbench ID: 50140
• Mol file: 15895-27-9.mol

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

Chemical Property of Eicosanoyl-CoA

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 425.34000
• Density: 1.48g/cm³
• LogP: 7.96820
• Storage Temp.: −20°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 38
• Exact Mass: 1061.40747608
• Heavy Atom Count: 69
• Complexity: 1690

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=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: CCCCCCCCCCCCCCCCCCCC(=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