Pantethine 4',4''-diphosphate

Base Information

• Chemical Name: Pantethine 4',4''-diphosphate
• CAS No.: 2664-64-4
• Molecular Formula: C22H44 N4 O14 P2 S2
• Molecular Weight: 714.6807
• DSSTox Substance ID: DTXSID30949473
• Nikkaji Number: J936.743H
• Mol file: 2664-64-4.mol

Synonyms:pantethine 4',4''-diphosphate

Chemical Property of Pantethine 4',4''-diphosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 1.59±0.10(Predicted)
• Flash Point: °C
• PSA: 374.56000
• Density: 1.457g/cm³
• LogP: 1.96680
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 23
• Exact Mass: 714.17706843
• Heavy Atom Count: 44
• Complexity: 960

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)O)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O