Chemical Properties of 1-O-(24-lithocholyl)-«beta»-D-glucopyranose, TFA

1-O-(24-lithocholyl)-«beta»-D-glucopyranose, TFA

InChI
InChI=1S/C40H45F15O13/c1-16(20-7-8-21-19-6-5-17-14-18(63-30(58)37(44,45)46)10-12-34(17,2)22(19)11-13-35(20,21)3)4-9-24(56)65-28-27(68-33(61)40(53,54)55)26(67-32(60)39(50,51)52)25(66-31(59)38(47,48)49)23(64-28)15-62-29(57)36(41,42)43/h16-23,25-28H,4-15H2,1-3H3/t16-,17?,18-,19?,20-,21?,22?,23-,25-,26+,27-,28+,34+,35-/m0/s1
InChI Key
MCVCWLONWOKEQS-XUGJMOMDSA-N
Formula
C40H45F15O13
SMILES
CC(CCC(=O)OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F)C1CCC2C3CCC4CC(OC(=O)C(F)(F)F)CCC4(C)C3CCC12C
Molecular Weight1
1018.75
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Physical Properties

Property Value Unit Source
ΔfusH° 109.00 kJ/mol Joback Calculated Property
logPoct/wat 8.332 Crippen Calculated Property
McVol 597.220 ml/mol McGowan Calculated Property
Inp [3404.00; 3404.00]   Show Hide
Inp 3404.00 NIST
Inp 3404.00 NIST
Tfus 434.44 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 [2680.02; 4516.39] J/mol×K [1494.51; 2183.73] Show Hide
Cp,gas 2680.02 J/mol×K 1494.51 Joback Calculated Property
Cp,gas 2838.90 J/mol×K 1609.38 Joback Calculated Property
Cp,gas 3042.29 J/mol×K 1724.25 Joback Calculated Property
Cp,gas 3300.96 J/mol×K 1839.12 Joback Calculated Property
Cp,gas 3625.69 J/mol×K 1953.99 Joback Calculated Property
Cp,gas 4027.24 J/mol×K 2068.86 Joback Calculated Property
Cp,gas 4516.39 J/mol×K 2183.73 Joback Calculated Property

Similar Compounds

1-O-(24-lithocholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-lithocholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-hyodeoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-hyodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-deoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-deoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-deoxycholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-cholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-cholyl)-«beta»-D-galactopyranose, TFA.

Find more compounds similar to 1-O-(24-lithocholyl)-«beta»-D-glucopyranose, TFA.

Sources

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