Chemical Properties of Prostaglandine F3A, butaneboronate

InChI

InChI=1S/C24H39BO5/c1-3-5-9-12-19(26)15-16-21-20(13-10-7-8-11-14-24(27)28)22-18-23(21)30-25(29-22)17-6-4-2/h5,7,9-10,15-16,19-23,26H,3-4,6,8,11-14,17-18H2,1-2H3,(H,27,28)/b9-5-,10-7-,16-15+/t19-,20+,21+,22-,23+/m1/s1

InChI Key

KOVZVISZSIBQND-CWDXXJQKSA-N

Formula

C24H39BO5

SMILES

CCC=CCC(O)C=CC1C2CC(OB(CCCC)O2)C1CC=CCCCC(=O)O

Molecular Weight¹

418.37

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Prostaglandine F3A, butaneboronate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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