3,6-Ditigloyloxytropan-7-ol

Base Information

• Chemical Name: 3,6-Ditigloyloxytropan-7-ol
• CAS No.: 7159-86-6
• Molecular Formula: C18H27NO5
• Molecular Weight: 337.41068
• Mol file: 7159-86-6.mol

Synonyms:3,6-ditigloyloxytropan-7-ol;[6-hydroxy-8-methyl-7-[(E)-2-methylbut-2-enoyl]oxy-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate;3alpha,6beta-Ditigloyloxytropan-7beta-ol;7159-86-6;7-Hydroxy-3,6-bis(tigloyloxy)tropane;CHEBI:169768;FRQMNJFBOJQRAQ-JMQWPVDRSA-N;3,6-Ditigloyloxy-7-hydroxytropane;7-Hydroxy-3,6-ditigloyloxytropane;3,6,7-Tropanetriol, 3,6-ditiglate;AKOS032948977;Tiglic acid, 7-hydroxy-3,6-tropanediyl ester;2-Butenoic acid, 2-methyl-, 7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diyl ester

Chemical Property of 3,6-Ditigloyloxytropan-7-ol

Chemical Property:

• Boiling Point: 435.6±45.0 °C(Predicted)
• PKA: 13.23±0.60(Predicted)
• PSA: 76.07000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 1.51760
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 337.18892296
• Heavy Atom Count: 24
• Complexity: 568

Purity/Quality:

95% ^*data from raw suppliers

3α,6β-Ditigloyloxytropan-7β-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)C(=CC)C)O
• Isomeric SMILES: C/C=C(\C)/C(=O)OC1CC2C(C(C(C1)N2C)OC(=O)/C(=C/C)/C)O

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