11-Deoxyprostaglandin E1 4-hydroxyphenyl ester

Base Information

• Chemical Name: 11-Deoxyprostaglandin E1 4-hydroxyphenyl ester
• CAS No.: 114495-95-3
• Molecular Formula: C26H38 O5
• Molecular Weight: 430.58
• Mol file: 114495-95-3.mol

Synonyms:11-deoxyprostaglandin E1 4-hydroxyphenyl ester;11-DP-E1-HP;4-hydroxyphenyl 11-deoxyprostaglandin E1 ester

Chemical Property of 11-Deoxyprostaglandin E1 4-hydroxyphenyl ester

Chemical Property:

• Vapor Pressure: 9.12E-15mmHg at 25°C
• Boiling Point: 590°Cat760mmHg
• PKA: 9.43±0.15(Predicted)
• Flash Point: 191.6°C
• PSA: 83.83000
• Density: 1.116g/cm³
• LogP: 5.73090
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 15
• Exact Mass: 430.27192431
• Heavy Atom Count: 31
• Complexity: 550

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=CC1CCC(=O)C1CCCCCCC(=O)OC2=CC=C(C=C2)O)O
• Isomeric SMILES: CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC2=CC=C(C=C2)O)O

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