coenzyme B

Base Information

• Chemical Name: coenzyme B
• CAS No.: 104302-77-4
• Molecular Formula: C11H22 N O7 P S
• Molecular Weight: 343.33
• UNII: 9GS022ISQL
• Nikkaji Number: J372.864A
• Wikipedia: Coenzyme_B
• Wikidata: Q579645
• Metabolomics Workbench ID: 51881
• Mol file: 104302-77-4.mol

Synonyms:7-mercaptoheptanoyl-O-phospho-L-threonine;7-mercaptoheptanoylthreonine phosphate;7-thioheptanoyl-threonine O-phosphate;coenzyme B;MHTP

Chemical Property of coenzyme B

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 181.77000
• Density: 1.367g/cm³
• LogP: 1.32480
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 343.08546021
• Heavy Atom Count: 21
• Complexity: 387

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
• Isomeric SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O