Chemical Properties of N-Acetyl-D-galactosaminitol, pentakis(trifluoroacetate)

N-Acetyl-D-galactosaminitol, pentakis(trifluoroacetate)

InChI
InChI=1S/C18H12F15NO11/c1-4(35)34-5(2-41-9(36)14(19,20)21)7(44-12(39)17(28,29)30)8(45-13(40)18(31,32)33)6(43-11(38)16(25,26)27)3-42-10(37)15(22,23)24/h5-8H,2-3H2,1H3,(H,34,35)
InChI Key
QEVIVUVSMPUBDA-UHFFFAOYSA-N
Formula
C18H12F15NO11
SMILES
CC(=O)NC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Molecular Weight1
703.26
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Physical Properties

Property Value Unit Source
ΔfusH° 58.05 kJ/mol Joback Calculated Property
logPoct/wat 2.124 Crippen Calculated Property
McVol 339.780 ml/mol McGowan Calculated Property
Inp [1394.30; 1394.30]   Show Hide
Inp 1394.30 NIST
Inp 1394.30 NIST
Tfus 389.81 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1138.97; 1155.26] J/mol×K [1067.87; 1359.21] Show Hide
Cp,gas 1138.97 J/mol×K 1067.87 Joback Calculated Property
Cp,gas 1145.17 J/mol×K 1116.43 Joback Calculated Property
Cp,gas 1149.68 J/mol×K 1164.98 Joback Calculated Property
Cp,gas 1152.71 J/mol×K 1213.54 Joback Calculated Property
Cp,gas 1154.50 J/mol×K 1262.10 Joback Calculated Property
Cp,gas 1155.26 J/mol×K 1310.65 Joback Calculated Property
Cp,gas 1155.21 J/mol×K 1359.21 Joback Calculated Property

Similar Compounds

[2H]Glucitolamine hexaacetate. N-Acetyl-D-glucosamine, tetrakis(trifluoroacetate), methyloxime (anti). N-Acetyl-D-glucosamine, tetrakis(trifluoroacetate), methyloxime (syn). .beta.-Mannosyl-(1-4)-N-acetylglucosamine, permethyl. N-Acetyl-D-glucosamine, aldononitrile, tetraacetate. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 1. 5-«beta»-Pregnan-3-«alpha»-ol, 20-«alpha»-GlcNAc MeTMS. 5-«alpha»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 2. 5-«alpha»-Pregnan-3-«beta»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-«beta»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 2. 5-«alpha»-Pregnan-3-«alpha»-ol, 20-«alpha»-GlcNAc, MeTMS. 5-«beta»-Pregnan-3-«alpha»,20-«alpha»-diol-20-GlcNAc TMS, # 1. Pregnan-2,3,20-triol, GlcNAc, MeTMS. Acetic acid 3-acetoxy-2-acetoxymethyl-5-(acetyl-methyl-amino)-6-methoxy-tetrahydro-pyran-4-yl ester. Methyl 4,6-di-O-acetyl-2-deoxy-3-O-methyl-2-(N-methylacetamido)-«alpha»-D-glucopyranoside.

Find more compounds similar to N-Acetyl-D-galactosaminitol, pentakis(trifluoroacetate).

Sources

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