Sequirin C

Base Information

• Chemical Name: Sequirin C
• CAS No.: 18194-29-1
• Molecular Formula: C17H18 O5
• Molecular Weight: 302.32
• ChEMBL ID: CHEMBL1689216
• DSSTox Substance ID: DTXSID001318509
• Metabolomics Workbench ID: 58683
• Nikkaji Number: J14.136D
• Wikidata: Q27124129
• Mol file: 18194-29-1.mol

Synonyms:Sequirin C;18194-29-1;sequirin-C;CHEBI:53644;4-[(E,3S,4S)-4,5-dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl]benzene-1,2-diol;4-[(S,E)-1-[(S)-1,2-Dihydroxyethyl]-3-(4-hydroxyphenyl)-2-propenyl]-1,2-benzenediol;4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)prop-2-en-1-yl]benzene-1,2-diol;SequirinC;Epitope ID:116876;CHEMBL1689216;DTXSID001318509;AKOS040762331;FS-9348;XS178049;Q27124129;4-((3S,4S,E)-4,5-Dihydroxy-1-(4-hydroxyphenyl)pent-1-en-3-yl)benzene-1,2-diol;1,2-Benzenediol, 4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)-2-propenyl]-

Chemical Property of Sequirin C

Chemical Property:

• PSA: 101.15000
• LogP: 1.95360
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 302.11542367
• Heavy Atom Count: 22
• Complexity: 351

Purity/Quality:

98%Min ^*data from raw suppliers

SequirinC 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(C2=CC(=C(C=C2)O)O)C(CO)O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/[C@@H](C2=CC(=C(C=C2)O)O)[C@@H](CO)O)O