Chemical Properties of 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione

2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione

InChI
InChI=1S/C21H30O6/c1-19-8-15(24)14(23)7-11(19)3-4-12-13-5-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3
InChI Key
RORUGVXGZMMYON-UHFFFAOYSA-N
Formula
C21H30O6
SMILES
CC12CC(O)C(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
Molecular Weight1
378.46
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° 35.87 kJ/mol Joback Calculated Property
log10WS -3.13 Relay (1.0) Calculated Property
logPoct/wat 0.752 Crippen Calculated Property
McVol 285.630 ml/mol McGowan Calculated Property
Tfus 499.80 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1304.62; 1766.43] J/mol×K [1204.98; 1487.93] Show Hide
Cp,gas 1304.62 J/mol×K 1204.98 Joback Calculated Property
Cp,gas 1363.02 J/mol×K 1252.14 Joback Calculated Property
Cp,gas 1427.87 J/mol×K 1299.30 Joback Calculated Property
Cp,gas 1499.91 J/mol×K 1346.46 Joback Calculated Property
Cp,gas 1579.86 J/mol×K 1393.62 Joback Calculated Property
Cp,gas 1668.45 J/mol×K 1440.78 Joback Calculated Property
Cp,gas 1766.43 J/mol×K 1487.93 Joback Calculated Property

Similar Compounds

11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortisone. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. Prednisolone. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Methylprednisolone. hydrocortisone tebutate. Hydrocortisone acetate. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Prednisolone Acetate. Betamethasone. Dexamethasone. prednisolone-21-trimethylacetate. 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.

Find more compounds similar to 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione.

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.