1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-

Base Information

• Chemical Name: 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-
• CAS No.: 21794-01-4
• Molecular Formula: C26H30 O11
• Molecular Weight: 518.56
• Nikkaji Number: J9.265G
• Wikipedia: Rubratoxin_B
• Mol file: 21794-01-4.mol

Synonyms:rubratoxin;rubratoxin B;rubratoxins

Chemical Property of 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-

Chemical Property:

• Melting Point: 176°C
• Refractive Index: 1.5376 (estimate)
• Boiling Point: 807.4°Cat760mmHg
• PKA: 11.08±0.60(Predicted)
• Flash Point: 271.8°C
• PSA: 173.73000
• Density: 1.45g/cm³
• LogP: 0.69740
• Storage Temp.: 0-6°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 518.17881177
• Heavy Atom Count: 37
• Complexity: 1100

Purity/Quality:

99%, ^*data from raw suppliers

RUBRATOXIN B 98.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Mycotoxins
• Canonical SMILES: CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O