Isooleuropein

Base Information

• Chemical Name: Isooleuropein
• CAS No.: 108789-17-9
• Molecular Formula: C25H32 O13
• Molecular Weight: 540.5138
• Nikkaji Number: J510.900K
• Wikidata: Q104978163

Synonyms:Isooleuropein;108789-17-9;2H-Pyran-4-acetic acid, 5-((2-(3,4-dihydroxyphenyl)ethoxy)carbonyl)-3- ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S-(2alpha,3E,4beta))-

Chemical Property of Isooleuropein

Chemical Property:

• Vapor Pressure: 1.25E-25mmHg at 25°C
• Boiling Point: 780.2°Cat760mmHg
• Flash Point: 259.6°C
• Density: 1.5g/cm³
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 540.18429107
• Heavy Atom Count: 38
• Complexity: 873

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OCCC3=CC(=C(C=C3)O)O)CC(=O)OC
• Isomeric SMILES: C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OCCC3=CC(=C(C=C3)O)O)CC(=O)OC

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