Mulberrofuran C

Base Information

• Chemical Name: Mulberrofuran C
• CAS No.: 77996-04-4
• Molecular Formula: C₃₄H₂₈O₉
• Molecular Weight: 580.591
• European Community (EC) Number: 826-193-9
• DSSTox Substance ID: DTXSID70999250
• Nikkaji Number: J2.767.385F
• Wikidata: Q27107406
• ChEMBL ID: CHEMBL378806
• Mol file: 77996-04-4.mol

Synonyms:mulberrofuran C

Chemical Property of Mulberrofuran C

Chemical Property:

• Vapor Pressure: 1.01E-26mmHg at 25°C
• Melting Point: 210℃
• Boiling Point: 801.6°Cat760mmHg
• PKA: 7.67±0.35(Predicted)
• Flash Point: 438.6°C
• PSA: 171.82000
• Density: 1.472g/cm³
• LogP: 6.75550
• XLogP3: 6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 580.17333247
• Heavy Atom Count: 43
• Complexity: 1010

Purity/Quality:

HPLC≥97% ^*data from raw suppliers

MulberrofuranC 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O
• Isomeric SMILES: CC1=C[C@H]([C@H]([C@@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)C5=CC6=C(O5)C=C(C=C6)O)O