Chemical Properties of Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI
InChI=1S/C29H40F6N4O8/c1-36(26(43)28(30,31)32)15-9-8-10-20(37(2)24(41)22(17-45-5)39(4)27(44)29(33,34)35)23(40)38(3)21(25(42)47-7)16-18-11-13-19(46-6)14-12-18/h11-14,20-22H,8-10,15-17H2,1-7H3
InChI Key
XUMUKDSKWUEAAH-UHFFFAOYSA-N
Formula
C29H40F6N4O8
SMILES
COCC(C(=O)N(C)C(CCCCN(C)C(=O)C(F)(F)F)C(=O)N(C)C(Cc1ccc(OC)cc1)C(=O)OC)N(C)C(=O)C(F)(F)F
Molecular Weight1
686.64
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 82.83 kJ/mol Joback Calculated Property
logPoct/wat 2.291 Crippen Calculated Property
McVol 471.710 ml/mol McGowan Calculated Property
Inp [3380.00; 3461.00]   Show Hide
Inp 3380.00 NIST
Inp 3461.00 NIST
Inp 3380.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [724.18; 1594.18] 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 A2.55600e+00
Coefficient B3.16304e+00
Coefficient C-2.02856e-03
Coefficient D4.57140e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 724.18 J/mol×K 273.00 Calculated Property
Cp,gas 887.92 J/mol×K 353.78 Calculated Property
Cp,gas 1031.52 J/mol×K 434.56 Calculated Property
Cp,gas 1156.42 J/mol×K 515.33 Calculated Property
Cp,gas 1264.07 J/mol×K 596.11 Calculated Property
Cp,gas 1355.92 J/mol×K 676.89 Calculated Property
Cp,gas 1433.40 J/mol×K 757.67 Calculated Property
Cp,gas 1497.98 J/mol×K 838.44 Calculated Property
Cp,gas 1551.09 J/mol×K 919.22 Calculated Property
Cp,gas 1594.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. xanthosine-5'-monophosphate, TMS. inosine-5'-monophosphate, TMS. norbormide. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Quinine, trimethylsilyl ether. Quinapril desethyl 3Me (Quinaprilate 3Me). 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Ajmaline. Deserpidine. d3-morphine, di-TMS. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). QUINIDINE, M(HO-), AC. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. TCN.

Find more compounds similar to Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.