Chemical Properties of Androst-6-ene-17beta-carboxylic acid, 3alpha-acetamido (CAS 5906-01-4)

Androst-6-ene-17beta-carboxylic acid, 3alpha-acetamido

InChI
InChI=1S/C22H33NO3/c1-13(24)23-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(25)26)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,23,24)(H,25,26)
InChI Key
RDQLUVCEWHEPOU-UHFFFAOYSA-N
Formula
C22H33NO3
SMILES
CC(O)=NC1CCC2(C)C(=CCC3C2CCC2(C)C(C(=O)O)CCC32)C1
Molecular Weight1
359.50
CAS
5906-01-4
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Physical Properties

Property Value Unit Source
ΔvapH° 165.46 kJ/mol Relay (1.0) Calculated Property
log10WS -4.10 Relay (1.0) Calculated Property
logPoct/wat 4.995 Crippen Calculated Property
McVol 292.090 ml/mol McGowan Calculated Property
Tboil 667.29 K Relay (1.0) Calculated Property
Tfus 470.30 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Similar Compounds

Triamcinolone Acetonide. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. Ceftazidime. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Nalmefene, bis(trifluoroacetate). Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. norbormide. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. 11-Hydroxy-.DELTA.-9-tetrahydrocannabinol, bis(trimethylsilyl) ether. Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3«beta»,23«beta»)-. Dihydrocodeine tms derivative. Etorphine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

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Sources

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