Citryl-coa

Base Information

• Chemical Name: Citryl-coa
• CAS No.: 3131-26-8
• Molecular Formula: C27H42 N7 O22 P3 S
• Molecular Weight: 941.64
• DSSTox Substance ID: DTXSID10953351
• Wikidata: Q27089445
• Mol file: 3131-26-8.mol

Synonyms:(3S)-citryl-CoA;citryl-CoA;citryl-coenzyme A;coenzyme A, citryl-

Chemical Property of Citryl-coa

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.95g/cm³
• LogP: 0.00000
• XLogP3: -7.4
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 25
• Exact Mass: 941.13164816
• Heavy Atom Count: 60
• Complexity: 1710

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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)CC(CC(=O)O)(C(=O)O)O)O