Chemical Properties of Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate (CAS 125567-35-3)

Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate

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InChI
InChI=1S/C28H35NO6/c1-26-12-9-21(35-25(30)18-3-6-20(7-4-18)29(31)32)17-19(26)5-8-22-23(26)10-13-27(2)24(22)11-14-28(27)33-15-16-34-28/h3-7,21-24H,8-17H2,1-2H3
InChI Key
ARNUAHHGHXAYII-UHFFFAOYSA-N
Formula
C28H35NO6
SMILES
CC12CCC(OC(=O)c3ccc([N+](=O)[O-])cc3)CC1=CCC1C2CCC2(C)C1CCC21OCCO1
Molecular Weight1
481.58
CAS
125567-35-3
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Physical Properties

Property Value Unit Source
ΔfG° 136.64 kJ/mol Joback Calculated Property
ΔfH°gas -537.36 kJ/mol Joback Calculated Property
ΔfusH° 54.19 kJ/mol Joback Calculated Property
ΔvapH° 113.11 kJ/mol Joback Calculated Property
log10WS -7.75 Crippen Calculated Property
logPoct/wat 5.826 Crippen Calculated Property
McVol 359.620 ml/mol McGowan Calculated Property
Pc 1413.31 kPa Joback Calculated Property
Tboil 1208.57 K Joback Calculated Property
Tc 1494.75 K Joback Calculated Property
Tfus 858.25 K Joback Calculated Property
Vc 1.359 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1568.27; 2093.83] J/mol×K [1208.57; 1494.75] Show Hide
Cp,gas 1568.27 J/mol×K 1208.57 Joback Calculated Property
Cp,gas 1634.13 J/mol×K 1256.27 Joback Calculated Property
Cp,gas 1707.48 J/mol×K 1303.96 Joback Calculated Property
Cp,gas 1789.22 J/mol×K 1351.66 Joback Calculated Property
Cp,gas 1880.25 J/mol×K 1399.36 Joback Calculated Property
Cp,gas 1981.48 J/mol×K 1447.05 Joback Calculated Property
Cp,gas 2093.83 J/mol×K 1494.75 Joback Calculated Property

Similar Compounds

azadirachtin. Acenaphthene-cis-1,2-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate.

Sources

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