Chemical Properties of L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester

L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester

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InChI
InChI=1S/C17H32N4O4S/c1-7-24-16(22)14(18-12-20(3)4)9-10-26-11-15(17(23)25-8-2)19-13-21(5)6/h12-15H,7-11H2,1-6H3
InChI Key
NCBAWTFQLBEJKQ-UHFFFAOYSA-N
Formula
C17H32N4O4S
SMILES
CCOC(=O)C(CCSCC(N=CN(C)C)C(=O)OCC)N=CN(C)C
Molecular Weight1
388.52
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Physical Properties

Property Value Unit Source
ΔfH°gas -553.00 kJ/mol Joback Calculated Property
ΔvapH° 88.50 kJ/mol Joback Calculated Property
log10WS -1.23 Crippen Calculated Property
logPoct/wat 1.153 Crippen Calculated Property
McVol 312.940 ml/mol McGowan Calculated Property
Pc 1157.71 kPa Joback Calculated Property
Inp 2645.00 NIST
Tboil 987.08 K Joback Calculated Property
Tc 1210.66 K Joback Calculated Property

Similar Compounds

Cystathionine, N,N'-bis(dimethylaminomethylene)-, diethyl ester. Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. L-Cystathionine, N,N'-bis(dimethylaminomethylene)-, dimethyl ester. (E)-Cnidimine. (Z)-Cnidimine. 7-acetyl-9-curassavoylheliotridine. Benazepril desethyl 3Me (Benazeprilate 3Me). Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 5-Pregnen-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 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'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. Retroisosensine. 5-Pregnen-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS. Retroisosenine. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2.

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Sources

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