Chemical Properties of Hydrocortamate (CAS 76-47-1)

Hydrocortamate

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InChI
InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3
InChI Key
FWFVLWGEFDIZMJ-UHFFFAOYSA-N
Formula
C27H41NO6
SMILES
CCN(CC)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Molecular Weight1
475.62
CAS
76-47-1
Sources

Physical Properties

Property Value Unit Source
Δf -308.60 kJ/mol Joback Calculated Property
Δfgas -1041.21 kJ/mol Joback Calculated Property
Δfus 47.97 kJ/mol Joback Calculated Property
Δvap 128.33 kJ/mol Joback Calculated Property
logPoct/wat 2.67 Crippen Calculated Property
Pc 1292.07 kPa Joback Calculated Property
Tboil 1251.10 K Joback Calculated Property
Tc 1546.94 K Joback Calculated Property
Tfus 864.89 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1693.24 J/mol×K 1251.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (ring) 1
=CH- (ring) 1
-OH (alcohol) 2
-CH2- 4
=C< (ring) 1
>N- 1
-CH3 4
>C< (ring) 3
>C=O (nonring) 2
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Hydrocortisone Acetate. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. Hydrocortisone. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. Cortisone Acetate. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. Methylprednisolone. Prednisolone.

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