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)C3C(CCC4=CC(=O)C(O)CC43C)C1CCC2(O)C(=O)CO
Molecular Weight1
378.46
CAS
520-84-3
Sources

Physical Properties

Property Value Unit Source
Δf -517.33 kJ/mol Joback Calculated Property
Δfgas -1064.90 kJ/mol Joback Calculated Property
Δfus 35.87 kJ/mol Joback Calculated Property
Δvap 136.83 kJ/mol Joback Calculated Property
logPoct/wat 0.75 Crippen 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 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1304.38 J/mol×K 1204.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 1
-OH (alcohol) 4
=C< (ring) 1
-CH2- 1
>C< (ring) 3
-CH3 2
>CH- (ring) 5
-CH2- (ring) 6
>C=O (ring) 1

Similar Compounds

11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortisone. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Hydrocortisone Acetate. Methylprednisolone. Prednisolone. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 17Alpha,21dihydroxy progesterone. Hydrocortamate. 17«alpha»-Hydroxyprogesterone. 17«alpha»-Hydroxyprogesterone. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. 11Beta,21-dihydroxypregn-4-ene-3,20-dione.

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