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

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

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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

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
log10WS -4.87 Crippen Calculated Property
logPoct/wat 3.502 Crippen Calculated Property
McVol 280.920 ml/mol McGowan Calculated Property
Pc 1887.08 kPa Joback Calculated Property
Inp 2865.00 NIST
Tboil 986.33 K Joback Calculated Property
Tc 1209.67 K Joback Calculated Property
Tfus 602.79 K Joback Calculated Property
Vc 1.040 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1124.32; 1353.64] J/mol×K [986.33; 1209.67] Show Hide
Cp,gas 1124.32 J/mol×K 986.33 Joback Calculated Property
Cp,gas 1156.05 J/mol×K 1023.55 Joback Calculated Property
Cp,gas 1189.85 J/mol×K 1060.78 Joback Calculated Property
Cp,gas 1226.10 J/mol×K 1098.00 Joback Calculated Property
Cp,gas 1265.22 J/mol×K 1135.22 Joback Calculated Property
Cp,gas 1307.60 J/mol×K 1172.45 Joback Calculated Property
Cp,gas 1353.64 J/mol×K 1209.67 Joback Calculated Property

Similar Compounds

Pregnane-3,17,20-triol, (3«alpha»,5«beta»,20S)-. 5-«alpha»-Pregnane-3-«beta»,17-«alpha»,20-«beta»-triol. 5-«alpha»-Pregnane-17-«alpha»,20-«alpha»-diol. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»-diol. Cedrane diol. 5-«alpha»-Pregnane-17-«alpha»,20-«beta»,21-triol. Cortol. 4-Hydroxymenthol. 1,2-Cyclohexanediol, 4-methyl-1-(1-methylethyl)-, (1«alpha»,2«alpha»,4«alpha»)-. 4-Hydroxyneomenthol. (1S,2S,3R,5S)-(+)-Pinanediol. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-. 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethyl)-. carane-3,4-diol. 5B-Estran-3B,17B-diol, 17A-ethyl.

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

Sources

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