Chemical Properties of 17Beta-acetoxy-2,4-dibromoestra-1,3,5(10)-trien-3-ol

17Beta-acetoxy-2,4-dibromoestra-1,3,5(10)-trien-3-ol

InChI
InChI=1S/C20H24Br2O3/c1-10(23)25-17-6-5-15-12-3-4-13-14(9-16(21)19(24)18(13)22)11(12)7-8-20(15,17)2/h9,11-12,15,17,24H,3-8H2,1-2H3
InChI Key
YGDGJBWJHHTLMF-UHFFFAOYSA-N
Formula
C20H24Br2O3
SMILES
CC(=O)OC1CCC2C3CCc4c(cc(Br)c(O)c4Br)C3CCC12C
Molecular Weight1
472.22
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Physical Properties

Property Value Unit Source
ΔfusH° 45.62 kJ/mol Joback Calculated Property
log10WS -6.31 Relay (1.0) Calculated Property
logPoct/wat 5.705 Crippen Calculated Property
McVol 284.630 ml/mol McGowan Calculated Property
Tfus 431.20 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [939.04; 1113.48] J/mol×K [1007.51; 1271.45] Show Hide
Cp,gas 939.04 J/mol×K 1007.51 Joback Calculated Property
Cp,gas 963.34 J/mol×K 1051.50 Joback Calculated Property
Cp,gas 989.00 J/mol×K 1095.49 Joback Calculated Property
Cp,gas 1016.45 J/mol×K 1139.48 Joback Calculated Property
Cp,gas 1046.07 J/mol×K 1183.47 Joback Calculated Property
Cp,gas 1078.28 J/mol×K 1227.46 Joback Calculated Property
Cp,gas 1113.48 J/mol×K 1271.45 Joback Calculated Property

Similar Compounds

1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-PFP. 1,3,5(10)-Oestratriene-3,17«alpha»-diol, 3-TBDMS-17-PFP. 1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-HFB. Estriol, 3-(tert-butyldimethylsilyl) ether. Retroisosensine. Retroisosenine. Nalmefene, bis(trifluoroacetate). Thymidine, 3'-O-acetyl, 5'-O-TBDMS. azadirachtin. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. Benzquinamide M (O-des-Et), acetylated. «beta»-Estradiol, 3-(tert-butyldimethylsilyl) ether. AJMALINE, M(HO-), AC. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to 17Beta-acetoxy-2,4-dibromoestra-1,3,5(10)-trien-3-ol.

Sources

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