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

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

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InChI
InChI=1S/C16H30N2O6/c1-6-22-15(20)17-10-8-9-13(18-16(21)23-7-2)14(19)24-12(5)11(3)4/h11-13H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t12-,13?/m1/s1
InChI Key
PKDJRCOUQAURDP-PZORYLMUSA-N
Formula
C16H30N2O6
SMILES
CCOC(=O)NCCCC(NC(=O)OCC)C(=O)OC(C)C(C)C
Molecular Weight1
346.42
Sources

Physical Properties

Property Value Unit Source
Δf -446.46 kJ/mol Joback Calculated Property
Δfgas -1016.87 kJ/mol Joback Calculated Property
Δfus 45.19 kJ/mol Joback Calculated Property
Δvap 90.39 kJ/mol Joback Calculated Property
logPoct/wat 2.22 Crippen Calculated Property
Pc 1518.75 kPa Joback Calculated Property
Tboil 893.37 K Joback Calculated Property
Tc 1096.44 K Joback Calculated Property
Tfus 546.88 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 903.14 J/mol×K 893.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 3
-CH3 5
-CH2- 5
>NH 2
>C=O (nonring) 3

Similar Compounds

L-Ornithine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-«alpha»-Aminoadipic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Lysine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. «alpha»-Aminopimelic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-Glutamic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Glutamic 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. D-«alpha»-Aminobutyric acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. L-norvaline, n-butoxycarbonyl-, isobutyl ester. L-norvaline, n-isobutoxycarbonyl-, isobutyl ester. L-norvaline, n-isobutoxycarbonyl-, propyl ester. L-norvaline, n-propoxycarbonyl-, propyl ester. L-norvaline, n-isobutoxycarbonyl-, isohexyl ester.

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