pimeloyl-CoA

Base Information

• Chemical Name: pimeloyl-CoA
• CAS No.: 18907-20-5
• Molecular Formula: C28H46 N7 O19 P3 S
• Molecular Weight: 909.69
• DSSTox Substance ID: DTXSID60940418
• Nikkaji Number: J1.074.430J
• Wikidata: Q27089486
• Metabolomics Workbench ID: 50119
• Mol file: 18907-20-5.mol

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

Chemical Property of pimeloyl-CoA

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 462.64000
• Density: 1.81g/cm³
• LogP: 1.96160
• XLogP3: -5
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 26
• Exact Mass: 909.17820443
• Heavy Atom Count: 58
• Complexity: 1560

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)O)O
• Isomeric SMILES: CC(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)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)O)O