Rhamnocitrin 3-rhamnoside

Base Information

• Chemical Name: Rhamnocitrin 3-rhamnoside
• CAS No.: 57525-01-6
• Molecular Formula: C22H22O10
• Molecular Weight: 446.411
• DSSTox Substance ID: DTXSID50973058
• Wikidata: Q82956907
• ChEMBL ID: CHEMBL4752235
• Mol file: 57525-01-6.mol

Synonyms:Rhamnocitrin 3-rhamnoside;57525-01-6;4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-;CHEMBL4752235;DTXSID50973058;5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-deoxyhexopyranoside

Chemical Property of Rhamnocitrin 3-rhamnoside

Chemical Property:

• Vapor Pressure: 4.37E-24mmHg at 25°C
• Boiling Point: 757°Cat760mmHg
• PKA: 6.04±0.40(Predicted)
• Flash Point: 266.2°C
• PSA: 159.05000
• Density: 1.6g/cm³
• LogP: 1.08610
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 446.12129689
• Heavy Atom Count: 32
• Complexity: 718

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC=C(C=C4)O)O)O)O