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

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
ΔfusH° 65.80 kJ/mol Joback Calculated Property
logPoct/wat 0.554 Crippen Calculated Property
McVol 383.810 ml/mol McGowan Calculated Property
Inp [2959.00; 3033.00]   Show Hide
Inp 2959.00 NIST
Inp 3033.00 NIST
Inp 2959.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [590.73; 1270.02] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.67930e+01
Coefficient B2.29305e+00
Coefficient C-1.29370e-03
Coefficient D2.13880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 590.73 J/mol×K 273.00 Calculated Property
Cp,gas 715.58 J/mol×K 353.78 Calculated Property
Cp,gas 826.50 J/mol×K 434.56 Calculated Property
Cp,gas 924.18 J/mol×K 515.33 Calculated Property
Cp,gas 1009.30 J/mol×K 596.11 Calculated Property
Cp,gas 1082.52 J/mol×K 676.89 Calculated Property
Cp,gas 1144.53 J/mol×K 757.67 Calculated Property
Cp,gas 1196.00 J/mol×K 838.44 Calculated Property
Cp,gas 1237.60 J/mol×K 919.22 Calculated Property
Cp,gas 1270.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

Tinctorine. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-. (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. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Sophoramine. Cialis. Inosine, 2',3',5'-tribenzoate. 2',3'-Di-O-acetyladenosine, N-trimethylsilyl-, trimethylsilyl ether. Dihydromorphine , di(trimehylsilyl) ether. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-. RESCINNAMINE. [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»)-. Brucine. TCN. Ajmaline.

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

Sources

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