Chemical Properties of D-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

D-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI
InChI=1S/C14H27NO4S/c1-6-18-14(17)15-12(8-9-20-7-2)13(16)19-11(5)10(3)4/h10-12H,6-9H2,1-5H3,(H,15,17)/t11-,12?/m0/s1
InChI Key
WJFMXOHGTNBCRA-JHJMLUEUSA-N
Formula
C14H27NO4S
SMILES
CCOC(=O)NC(CCSCC)C(=O)O[C@@H](C)C(C)C
Molecular Weight1
305.44
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Physical Properties

Property Value Unit Source
ΔfusH° 36.25 kJ/mol Joback Calculated Property
logPoct/wat 2.832 Crippen Calculated Property
McVol 249.330 ml/mol McGowan Calculated Property
Inp 1971.70 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [743.32; 818.82] J/mol×K [789.93; 989.57] Show Hide
Cp,gas 743.32 J/mol×K 789.93 Joback Calculated Property
Cp,gas 758.52 J/mol×K 823.20 Joback Calculated Property
Cp,gas 772.67 J/mol×K 856.48 Joback Calculated Property
Cp,gas 785.77 J/mol×K 889.75 Joback Calculated Property
Cp,gas 797.83 J/mol×K 923.02 Joback Calculated Property
Cp,gas 808.85 J/mol×K 956.30 Joback Calculated Property
Cp,gas 818.82 J/mol×K 989.57 Joback Calculated Property

Similar Compounds

L-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Methionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Methionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Homocysteine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Retroisosenine. Ni-TETMP complex. Zinc octaethylporphyrin chloride. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Retroisosensine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. 13«beta»-Acetoxyanagyrine. ERGOTAMINE.

Find more compounds similar to D-Ethionine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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