3-Decaprenyl-4-hydroxybenzoate

Base Information

• Chemical Name: 3-Decaprenyl-4-hydroxybenzoate
• CAS No.: 636-57-7
• Molecular Formula: C57H86 O3
• Molecular Weight: 819.29
• Wikidata: Q27133055
• Metabolomics Workbench ID: 38842
• Mol file: 636-57-7.mol

Synonyms:3-decaprenyl-4-hydroxybenzoate;PPHB-10

Chemical Property of 3-Decaprenyl-4-hydroxybenzoate

Chemical Property:

• PSA: 57.53000
• LogP: 18.13760
• XLogP3: 19.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 30
• Exact Mass: 818.65769660
• Heavy Atom Count: 60
• Complexity: 1560

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)O)C)C)C)C)C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C