Rubranol

Base Information

• Chemical Name: Rubranol
• CAS No.: 211126-61-3
• Molecular Formula: C19H24O5
• Molecular Weight: 332.39100
• DSSTox Substance ID: DTXSID80435472
• Nikkaji Number: J973.142C
• Wikidata: Q72506848
• Metabolomics Workbench ID: 136537
• ChEMBL ID: CHEMBL464363
• Mol file: 211126-61-3.mol

Synonyms:Rubranol;211126-61-3;CHEMBL464363;4-[(5R)-7-(3,4-DIHYDROXYPHENYL)-5-HYDROXYHEPTYL]BENZENE-1,2-DIOL;3-Deoxohirsutanonol;DTXSID80435472;BDBM50478446;AKOS040762822;FS-9555;(5r)-1,7-bis (3,4-dihydroxyphenyl)-heptane-5-ol;4,4'-[(3R)-3-Hydroxyheptane-1,7-diyl]di(benzene-1,2-diol)

Chemical Property of Rubranol

Chemical Property:

• Boiling Point: 611.1±55.0 °C(Predicted)
• PKA: 9.86±0.10(Predicted)
• PSA: 101.15000
• Density: 1.292±0.06 g/cm3(Predicted)
• LogP: 3.21550
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 332.16237386
• Heavy Atom Count: 24
• Complexity: 351

Purity/Quality:

98%min ^*data from raw suppliers

Rubranol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCCCC(CCC2=CC(=C(C=C2)O)O)O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1CCCC[C@H](CCC2=CC(=C(C=C2)O)O)O)O)O