2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

Base Information

• Chemical Name: 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone
• CAS No.: 113866-89-0
• Molecular Formula: C25H30 O5
• Molecular Weight: 410.5
• DSSTox Substance ID: DTXSID801114058
• Nikkaji Number: J1.384.080F,J761.730E
• Pharos Ligand ID: 2FCRX2X74KPT
• Metabolomics Workbench ID: 26930
• ChEMBL ID: CHEMBL523392
• Mol file: 113866-89-0.mol

Synonyms:3,4,2',4'-tetrahydroxy-2-geranyldihydrochalcone;AC 5-1;AC-5-1

Chemical Property of 2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone

Chemical Property:

• Melting Point: 132-136 °C
• Boiling Point: 646.9±55.0 °C(Predicted)
• PKA: 7.71±0.35(Predicted)
• Flash Point: 359oC
• PSA: 97.99000
• Density: 1.194±0.06 g/cm3(Predicted)
• LogP: 6.04930
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 410.20932405
• Heavy Atom Count: 30
• Complexity: 607

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(=CCC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)CCC(=O)C2=C(C=C(C=C2)O)O)/C)C