Chemical Properties of Methionine-asparagine-threonine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

Methionine-asparagine-threonine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

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InChI
InChI=1S/C21H34F3N3O8S/c1-12(33-5)16(19(31)35-7)27(4)18(30)14(11-15(28)34-6)25(2)17(29)13(9-10-36-8)26(3)20(32)21(22,23)24/h12-14,16H,9-11H2,1-8H3
InChI Key
FWCOJIVFRVTKJP-UHFFFAOYSA-N
Formula
C21H34F3N3O8S
SMILES
COC(=O)CC(C(=O)N(C)C(C(=O)OC)C(C)OC)N(C)C(=O)C(CCSC)N(C)C(=O)C(F)(F)F
Molecular Weight1
545.57
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Physical Properties

Property Value Unit Source
ΔfG° -1059.55 kJ/mol Joback Calculated Property
ΔfH°gas -1810.07 kJ/mol Joback Calculated Property
ΔfusH° 62.63 kJ/mol Joback Calculated Property
ΔvapH° 110.95 kJ/mol Joback Calculated Property
log10WS -1.46 Crippen Calculated Property
logPoct/wat 0.554 Crippen Calculated Property
McVol 383.810 ml/mol McGowan Calculated Property
Pc 1079.93 kPa Joback Calculated Property
Inp 2959.00 NIST
Tboil 1115.41 K Joback Calculated Property
Tc 1381.03 K Joback Calculated Property
Tfus 718.77 K Joback Calculated Property
Vc 1.423 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1304.08; 1332.26] J/mol×K [1115.41; 1381.03] Show Hide
Cp,gas 1304.08 J/mol×K 1115.41 Joback Calculated Property
Cp,gas 1313.58 J/mol×K 1159.68 Joback Calculated Property
Cp,gas 1321.03 J/mol×K 1203.95 Joback Calculated Property
Cp,gas 1326.51 J/mol×K 1248.22 Joback Calculated Property
Cp,gas 1330.14 J/mol×K 1292.49 Joback Calculated Property
Cp,gas 1332.02 J/mol×K 1336.76 Joback Calculated Property
Cp,gas 1332.26 J/mol×K 1381.03 Joback Calculated Property

Similar Compounds

Tinctorine. Sophoramine. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. 2',3'-Di-O-acetyladenosine, N-trimethylsilyl-, trimethylsilyl ether. Inosine, 2',3',5'-tribenzoate. Ethylmorphine, trimethylsilyl ether. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. [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»)-. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to Methionine-asparagine-threonine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

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