Ellagic acid 4-O-xylopyranoside

Base Information

• Chemical Name: Ellagic acid 4-O-xylopyranoside
• CAS No.: 139163-18-1
• Molecular Formula: C19H14 O12
• Molecular Weight: 434.31
• DSSTox Substance ID: DTXSID30160949
• Nikkaji Number: J2.152.770J
• Wikidata: Q83029304
• Metabolomics Workbench ID: 125668
• ChEMBL ID: CHEMBL1939391
• Mol file: 139163-18-1.mol

Synonyms:EABXP;ellagic acid 4-O-xylopyranoside;ellagic acid-4-O-beta-D-xylopyranoside

Chemical Property of Ellagic acid 4-O-xylopyranoside

Chemical Property:

• Vapor Pressure: 7.88E-35mmHg at 25°C
• Boiling Point: 899.7°Cat760mmHg
• Flash Point: 325.2°C
• PSA: 200.26000
• Density: 2.007g/cm³
• LogP: -0.57500
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 434.04852588
• Heavy Atom Count: 31
• Complexity: 745

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O
• Isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C3=C4C(=C2)C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)O)O)O