tetradecanoyl-CoA

Base Information

• Chemical Name: tetradecanoyl-CoA
• CAS No.: 3130-72-1
• Molecular Formula: C35H62N7O17P3S
• Molecular Weight: 977.889763
• Nikkaji Number: J589.553G
• Wikidata: Q27093236
• Metabolomics Workbench ID: 50144
• Mol file: 3130-72-1.mol

Synonyms:coenzyme A, tetradecanoyl-;myristoyl-CoA;myristoyl-coenzyme A;S-tetradecanoyl-coenzyme A;tetradecanoyl-CoA

Chemical Property of tetradecanoyl-CoA

Chemical Property:

• Refractive Index: 1.641
• PKA: 1.16±0.50(Predicted)
• PSA: 425.34000
• Density: 1.58 g/cm³
• LogP: 5.62760
• Storage Temp.: Store at 0°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 32
• Exact Mass: 977.31357570
• Heavy Atom Count: 63
• Complexity: 1590

Purity/Quality:

98%Min ^*data from raw suppliers

Myristoyl Coenzyme A ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=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: CCCCCCCCCCCCCC(=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