Chemical Properties of 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol

5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16?,17?,18?,19-,20-,21-/m1/s1
InChI Key
SCPADBBISMMJAW-NAJBNHQKSA-N
Formula
C21H36O3
SMILES
CC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C
Molecular Weight1
336.51
Sources

Physical Properties

Property Value Unit Source
Δf -151.77 kJ/mol Joback Calculated Property
Δfgas -713.98 kJ/mol Joback Calculated Property
Δfus 26.32 kJ/mol Joback Calculated Property
Δvap 107.81 kJ/mol Joback Calculated Property
logPoct/wat 3.50 Crippen Calculated Property
Pc 1887.08 kPa Joback Calculated Property
Tboil 986.33 K Joback Calculated Property
Tc 1209.67 K Joback Calculated Property
Tfus 602.79 K Joback Calculated Property
Vc 1.04 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1124.32 J/mol×K 986.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-OH (alcohol) 3
>C< (ring) 3
-CH3 3
>CH- (ring) 5
-CH2- (ring) 9

Similar Compounds

5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«beta»-triol. Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20S)-. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol. 5-«alpha»-Pregnane-17-«alpha»,20-«alpha»-diol. 5-.alpha.-Pregnane-17-.alpha.,20-.beta.,21-triol. Cortol. Cedrane diol. 2-Bornanol, 2-methyl-. 2-Methylisoborneol. (+)-Prenopsan-8-ol. Ginsenol. Presilphiperfolan-8-ol. Isolongifolol. Neoisolongifolane, hydroxy-. (-)-Nopsan-4-ol.

Find more compounds similar to 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«alpha»-triol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.