Chemical Properties of 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate (CAS 125638-43-9)

5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate

InChI
InChI=1S/C25H38O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h16-21,23H,5-13H2,1-4H3,(H,28,29)
InChI Key
ZCECNGOCGUYLHX-UHFFFAOYSA-N
Formula
C25H38O6
SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC(CC(=O)O)C2OC(C)=O)C1
Molecular Weight1
434.57
CAS
125638-43-9
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Physical Properties

Property Value Unit Source
ΔfusH° 54.19 kJ/mol Joback Calculated Property
logPoct/wat 4.593 Crippen Calculated Property
McVol 341.990 ml/mol McGowan Calculated Property
Tfus 418.33 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [467.36; 1311.90] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.61279e+02
Coefficient B3.32698e+00
Coefficient C-2.65660e-03
Coefficient D9.02800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 467.36 J/mol×K 273.00 Calculated Property
Cp,gas 623.21 J/mol×K 353.78 Calculated Property
Cp,gas 756.89 J/mol×K 434.56 Calculated Property
Cp,gas 871.27 J/mol×K 515.33 Calculated Property
Cp,gas 969.19 J/mol×K 596.11 Calculated Property
Cp,gas 1053.51 J/mol×K 676.89 Calculated Property
Cp,gas 1127.09 J/mol×K 757.67 Calculated Property
Cp,gas 1192.77 J/mol×K 838.44 Calculated Property
Cp,gas 1253.43 J/mol×K 919.22 Calculated Property
Cp,gas 1311.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. 5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate. Norcholic acid, acetate-methyl ester. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 5-hydroxy-isobornyl butyrate. Homocholic acid, acetate-methyl ester. Isobornyl caprate. Isobornyl laureate. Bornyl hexanoate. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-.

Find more compounds similar to 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate.

Sources

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