Chemical Properties of 17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, methylboronate

InChI

InChI=1S/C22H33BO4/c1-20-9-6-15(24)12-14(20)4-5-16-17(20)7-10-21(2)18(16)8-11-22(21,25)19-13-26-23(3)27-19/h12,16-19,25H,4-11,13H2,1-3H3/t16?,17?,18?,19-,20+,21+,22+/m0/s1

InChI Key

PQXGMOHODMJBLI-WARUMDEKSA-N

Formula

C22H33BO4

SMILES

CB1OCC(C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC32C)O1

Molecular Weight¹

372.31

• 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

Property	Value	Unit	Source
log10WS	-2.76		Crippen Calculated Property
logPoct/wat	3.783		Crippen Calculated Property
Inp	[2970.00; 2970.00]
Inp	2970.00		NIST
Inp	2970.00		NIST

Similar Compounds

Find more compounds similar to 17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, methylboronate.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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