2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Base Information

• Chemical Name: 2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS No.: 64776-96-1
• Molecular Formula: C16H28 O7
• Molecular Weight: 332.39
• Mol file: 64776-96-1.mol

Synonyms:Betulalbuside A;2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;64776-96-1

Chemical Property of 2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Property:

• Boiling Point: 555.2±50.0 °C(Predicted)
• PKA: 12.92±0.70(Predicted)
• PSA: 119.61000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: -0.53360
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 332.18350323
• Heavy Atom Count: 23
• Complexity: 411

Purity/Quality:

98% ^*data from raw suppliers

BetulalbusideA ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(C)(C=C)O)COC1C(C(C(C(O1)CO)O)O)O
• Isomeric SMILES: C/C(=C\CCC(C)(C=C)O)/COC1C(C(C(C(O1)CO)O)O)O