Chemical Properties of 5-Androsten-17-one, 19-hydroxy-3b-methoxy-, methanesulfonate (CAS 6494-00-4)

5-Androsten-17-one, 19-hydroxy-3b-methoxy-, methanesulfonate

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InChI
InChI=1S/C21H32O5S/c1-20-10-9-18-16(17(20)6-7-19(20)22)5-4-14-12-15(25-2)8-11-21(14,18)13-26-27(3,23)24/h4,15-18H,5-13H2,1-3H3
InChI Key
YECDAUWXRFWPSS-UHFFFAOYSA-N
Formula
C21H32O5S
SMILES
COC1CCC2(COS(C)(=O)=O)C(=CCC3C4CCC(=O)C4(C)CCC32)C1
Molecular Weight1
396.54
CAS
6494-00-4
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Physical Properties

Property Value Unit Source
Δf -498.76 kJ/mol Joback Calculated Property
Δfgas -1035.75 kJ/mol Joback Calculated Property
Δfus 35.83 kJ/mol Joback Calculated Property
Δvap 88.59 kJ/mol Joback Calculated Property
log10WS -4.23 Crippen Calculated Property
logPoct/wat 3.490 Crippen Calculated Property
McVol 300.410 ml/mol McGowan Calculated Property
Pc 1753.60 kPa Joback Calculated Property
Tboil 883.91 K Joback Calculated Property
Tc 1116.76 K Joback Calculated Property
Tfus 584.43 K Joback Calculated Property
Vc 1.149 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1054.08; 1206.84] J/mol×K [883.91; 1116.76] Show Hide
Cp,gas 1054.08 J/mol×K 883.91 Joback Calculated Property
Cp,gas 1079.59 J/mol×K 922.72 Joback Calculated Property
Cp,gas 1104.75 J/mol×K 961.53 Joback Calculated Property
Cp,gas 1129.80 J/mol×K 1000.34 Joback Calculated Property
Cp,gas 1155.00 J/mol×K 1039.14 Joback Calculated Property
Cp,gas 1180.59 J/mol×K 1077.95 Joback Calculated Property
Cp,gas 1206.84 J/mol×K 1116.76 Joback Calculated Property

Similar Compounds

Testosterone, 3-HFB, 17«beta»-PFB. 7«alpha»,12«alpha»,26-trihydroxy,3-oxy-4-cholestenoate, methyl ester-trimethylsilyl ether. Platyphylline. Hastacine. Antheridic acid, MeTMS. 3,18-Dioxo-11«beta»,17«alpha»-dihydroxy-4-etienic acid, 20,18-lactone, 18,11-hemiacetal, MO-TMS. Budesonide. Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Androst-1,4-dien-2z-hydroxymethyl-17«alpha»-methyl-11«alpha»,17«beta»-diol-3-one, TMS. Cortisol tetra-TMS. Cortisol enol-TMS. 7«alpha»,26-dihydroxy,3-oxy-4-cholestenoate, methyl ester-trimethylsilyl ether. 3Beta-acetoxy-17beta-toluenesulfonoxy-5-androstene. Mucronatinine. Gelsemine.

Find more compounds similar to 5-Androsten-17-one, 19-hydroxy-3b-methoxy-, methanesulfonate.

Sources

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