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

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

InChI
InChI=1S/C44H43F21O17/c1-14(4-7-23(66)79-28-27(82-35(73)44(63,64)65)26(81-34(72)43(60,61)62)25(80-33(71)42(57,58)59)21(76-28)13-74-29(67)38(45,46)47)17-5-6-18-24-19(12-22(37(17,18)3)78-32(70)41(54,55)56)36(2)9-8-16(75-30(68)39(48,49)50)10-15(36)11-20(24)77-31(69)40(51,52)53/h14-22,24-28H,4-13H2,1-3H3/t14-,15?,16-,17-,18?,19?,20-,21-,22?,24?,25-,26+,27-,28+,36+,37-/m0/s1
InChI Key
QHOCKXCFQMXQIH-HTOFCRFESA-N
Formula
C44H43F21O17
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)C1CCC2C3C(OC(=O)C(F)(F)F)CC4CC(OC(=O)C(F)(F)F)CCC4(C)C3CC(OC(=O)C(F)(F)F)C12C
Molecular Weight1
1242.77
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Physical Properties

Property Value Unit Source
ΔfusH° 133.89 kJ/mol Joback Calculated Property
logPoct/wat 8.500 Crippen Calculated Property
McVol 679.080 ml/mol McGowan Calculated Property
Inp 3298.00 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [3158.21; 14762.67] J/mol×K [1682.29; 3233.15] Show Hide
Cp,gas 3158.21 J/mol×K 1682.29 Joback Calculated Property
Cp,gas 3722.08 J/mol×K 1940.77 Joback Calculated Property
Cp,gas 4662.93 J/mol×K 2199.24 Joback Calculated Property
Cp,gas 6109.07 J/mol×K 2457.72 Joback Calculated Property
Cp,gas 8188.85 J/mol×K 2716.19 Joback Calculated Property
Cp,gas 11030.61 J/mol×K 2974.67 Joback Calculated Property
Cp,gas 14762.67 J/mol×K 3233.15 Joback Calculated Property

Similar Compounds

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

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

Sources

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