Chemical Properties of 21-Hydroxypregn-4-en-3,20-dione, 20,21-methylboronate

21-Hydroxypregn-4-en-3,20-dione, 20,21-methylboronate

InChI
InChI=1S/C22H31BO3/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/h12-13,16-19H,4-11H2,1-3H3/t16-,17-,18-,19+,21?,22-/m0/s1
InChI Key
BAJZWLGBRKRURW-BMVMDBOLSA-N
Formula
C22H31BO3
SMILES
CB1OC=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5(C)[C@H]4CC[C@]23C)O1
Molecular Weight1
354.30
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Physical Properties

Property Value Unit Source
log10WS -5.13 Relay (1.0) Calculated Property
logPoct/wat 5.141 Crippen Calculated Property
Inp 2935.00 NIST
Tfus 418.02 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

Pregn-4-en-3-one, 20,21-[(methyleneborylene)bis(oxy)]-, (20R)-. 5-Pregnene-3«beta»,20«beta»,21-triol, methylboronate-TMS. 5-Pregnene-3«beta»,20,21-triol, methylboronate-TMS. 17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, methylboronate. 24R,25-Dihydroxycholecalciferol, methylboronate, 3-TMS, # 2. 24R,25-Dihydroxycholecalciferol, methylboronate, 3-TMS, # 1. «alpha»-Terpineol, 6-O-(«alpha»-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. 24R,25-Dihydroxycholecalciferol, butylboronate, 3-TBDMS, # 2. 24R,25-Dihydroxycholecalciferol, butylboronate, 3-TBDMS, # 1. 24R,25-Dihydroxycholecalciferol, methylboronate, 3-TBDMS, # 1. 24R,25-Dihydroxycholecalciferol, methylboronate, 3-TBDMS, # 2. Dimetindene M (nor, OH), acetylated. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Beclomethasone, tetra-TMS.

Find more compounds similar to 21-Hydroxypregn-4-en-3,20-dione, 20,21-methylboronate.

Sources

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