Chemical Properties of 3«alpha»,11«beta»,21-trihydroxy-5«beta»-pregnane-20-one

3«alpha»,11«beta»,21-trihydroxy-5«beta»-pregnane-20-one

InChI
InChI=1S/C19H30O4/c20-9-18(23)14-6-5-13-15-3-1-10-7-11(21)2-4-12(10)19(15)17(22)8-16(13)14/h10-17,19-22H,1-9H2/t10-,11-,12?,13?,14?,15?,16?,17+,19?/m0/s1
InChI Key
YIURNAFXNWMMCO-VFFFOYLWSA-N
Formula
C19H30O4
SMILES
O=C(CO)C1CCC2C1CC(O)C1C3CCC(O)CC3CCC21
Molecular Weight1
322.44
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 46.22 kJ/mol Joback Calculated Property
logPoct/wat 1.758 Crippen Calculated Property
McVol 254.310 ml/mol McGowan Calculated Property
Inp 3000.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1001.23; 1079.45] J/mol×K [989.49; 1211.68] Show Hide
Cp,gas 1001.23 J/mol×K 989.49 Joback Calculated Property
Cp,gas 1016.67 J/mol×K 1026.52 Joback Calculated Property
Cp,gas 1031.01 J/mol×K 1063.55 Joback Calculated Property
Cp,gas 1044.35 J/mol×K 1100.59 Joback Calculated Property
Cp,gas 1056.80 J/mol×K 1137.62 Joback Calculated Property
Cp,gas 1068.47 J/mol×K 1174.65 Joback Calculated Property
Cp,gas 1079.45 J/mol×K 1211.68 Joback Calculated Property
η [0.0000176; 0.0008992] Pa×s [569.24; 989.49] Show Hide
η 0.0008992 Pa×s 569.24 Joback Calculated Property
η 0.0003261 Pa×s 639.28 Joback Calculated Property
η 0.0001445 Pa×s 709.32 Joback Calculated Property
η 0.0000741 Pa×s 779.37 Joback Calculated Property
η 0.0000424 Pa×s 849.41 Joback Calculated Property
η 0.0000265 Pa×s 919.45 Joback Calculated Property
η 0.0000176 Pa×s 989.49 Joback Calculated Property

Similar Compounds

3«alpha»,11«beta»,21-trihydroxy-5«alpha»-pregnane-20-one. 11«beta»-hydroxy-etiocholanolone, 3«alpha»,11«beta»-dihydroxy-5«beta»-androstane-17-one. 11«beta»-hydroxy-androsterone, 3«alpha»,11«beta»-dihydroxy-5«alpha»-androstane-17-one. Pregnane-3,20-dione, 11-hydroxy-, (5«alpha»,11«alpha»)-. 3«alpha»-hydroxy-5«beta»-androstane-17-one. 3«alpha»-hydroxy-5«alpha»-androstane-17-one. Estran-4-on-17B-ol. 4-Hydroxypiperitone. Allopregnane-7«alpha»,11«alpha»-diol-3,20-dione. 11-keto-etiocholanolone, 3«alpha»-hydroxy-5«beta»-androstane-11,17-dione. Androstan-17-one, 3,11-dihydroxy-, (3.alpha.,5.beta.,11.beta.)-. Drostanolone. 3«alpha»,11«beta»,17«alpha»,21-tetrahydroxy-5«alpha»-pregnane-20-one. 3«alpha»,11«beta»,17«alpha»,21-tetrahydroxy-5«beta»-pregnane-20-one. 1-((1S,3aR,4R,7S,7aS)-4-Hydroxy-7-isopropyl-4-methyloctahydro-1H-inden-1-yl)ethanone.

Find more compounds similar to 3«alpha»,11«beta»,21-trihydroxy-5«beta»-pregnane-20-one.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.