Chemical Properties of Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-

Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-

InChI
InChI=1S/C22H33BO3/c1-21-10-8-15(24)12-14(21)4-5-16-17-6-7-19(20-13-25-23(3)26-20)22(17,2)11-9-18(16)21/h12,16-20H,4-11,13H2,1-3H3/t16-,17-,18-,19+,20-,21-,22-/m0/s1
InChI Key
BZHGQTRIUSTJHC-CHRBLHIJSA-N
Formula
C22H33BO3
SMILES
CB1OC[C@@H]([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O1
Molecular Weight1
356.31
Other Names
  • Pregn-4-en-3-one, 20«beta»,21-dihydroxy-, cyclic methaneboronate
  • 20«beta»,21-Dihydroxypregn-4-en-3-one, 20,21-methylboronate
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Physical Properties

Property Value Unit Source
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 4.668 Crippen Calculated Property
Inp [2850.00; 2850.00]   Show Hide
Inp 2850.00 NIST
Inp 2850.00 NIST
Tfus 424.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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

17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, methylboronate. 5-Pregnene-3«beta»,20«beta»,21-triol, methylboronate. 5-Pregnene-3«beta»,20«alpha»,21-triol, methylboronate. 5-Pregnene-3«beta»,20,21-triol, methylboronate-TMS. 5-Pregnene-3«beta»,20«beta»,21-triol, methylboronate-TMS. Dimetindene M (nor, OH), acetylated. Dimetindene M (nor), acetylated. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. azadirachtin. Mucronatinine. norbormide. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Pumiline A. Axillarine. Gelsemine.

Find more compounds similar to Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-.

Sources

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