[6-Hydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

Base Information

• Chemical Name: [6-Hydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate
• CAS No.: 53962-20-2
• Molecular Formula: C21H34 O11
• Molecular Weight: 462.55
• Wikidata: Q104935417
• Mol file: 53962-20-2.mol

Synonyms:

Chemical Property of [6-Hydroxy-7-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate

Chemical Property:

• Vapor Pressure: 3.76E-21mmHg at 25°C
• Refractive Index: 1.5376 (estimate)
• Boiling Point: 675.6°C at 760 mmHg
• Flash Point: 230.3°C
• PSA: 175.37000
• Density: 1.43g/cm³
• LogP: -1.76210
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 462.21011190
• Heavy Atom Count: 32
• Complexity: 668

Purity/Quality:

99% ^*data from raw suppliers

PATRINOSIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OC1C2C(CC(C2CO)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O