Chemical Properties of 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione (CAS 520-84-3)

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

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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
CAS
520-84-3
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Physical Properties

Property Value Unit Source
ΔfG° -517.33 kJ/mol Joback Calculated Property
ΔfH°gas -1064.90 kJ/mol Joback Calculated Property
ΔfusH° 35.87 kJ/mol Joback Calculated Property
ΔvapH° 136.83 kJ/mol Joback Calculated Property
log10WS -2.79 Crippen Calculated Property
logPoct/wat 0.752 Crippen Calculated Property
McVol 285.630 ml/mol McGowan Calculated Property
Pc 2269.73 kPa Joback Calculated Property
Tboil 1204.78 K Joback Calculated Property
Tc 1487.69 K Joback Calculated Property
Tfus 810.04 K Joback Calculated Property
Vc 1.065 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1304.38; 1765.89] J/mol×K [1204.78; 1487.69] Show Hide
Cp,gas 1304.38 J/mol×K 1204.78 Joback Calculated Property
Cp,gas 1362.75 J/mol×K 1251.93 Joback Calculated Property
Cp,gas 1427.56 J/mol×K 1299.08 Joback Calculated Property
Cp,gas 1499.55 J/mol×K 1346.23 Joback Calculated Property
Cp,gas 1579.44 J/mol×K 1393.39 Joback Calculated Property
Cp,gas 1667.98 J/mol×K 1440.54 Joback Calculated Property
Cp,gas 1765.89 J/mol×K 1487.69 Joback Calculated Property

Similar Compounds

Hydrocortisone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. 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

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