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

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

InChI
InChI=1S/C42H44F18O15/c1-15(18-5-6-19-24-20(9-11-36(18,19)3)35(2)10-8-17(69-30(63)38(46,47)48)12-16(35)13-21(24)71-31(64)39(49,50)51)4-7-23(61)72-28-27(75-34(67)42(58,59)60)26(74-33(66)41(55,56)57)25(73-32(65)40(52,53)54)22(70-28)14-68-29(62)37(43,44)45/h15-22,24-28H,4-14H2,1-3H3/t15-,16?,17-,18-,19?,20?,21+,22-,24?,25-,26+,27-,28+,35+,36-/m0/s1
InChI Key
YGPQRMKMRCMANY-VBWAOOTCSA-N
Formula
C42H44F18O15
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)C3CCC12C
Molecular Weight1
1130.76
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Physical Properties

Property Value Unit Source
ΔfusH° 110.38 kJ/mol Joback Calculated Property
logPoct/wat 8.416 Crippen Calculated Property
McVol 638.150 ml/mol McGowan Calculated Property
Inp 3391.00 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 [3217.80; 12040.87] J/mol×K [1714.69; 3031.07] Show Hide
Cp,gas 3217.80 J/mol×K 1714.69 Joback Calculated Property
Cp,gas 3770.86 J/mol×K 1934.09 Joback Calculated Property
Cp,gas 4592.55 J/mol×K 2153.48 Joback Calculated Property
Cp,gas 5756.62 J/mol×K 2372.88 Joback Calculated Property
Cp,gas 7336.85 J/mol×K 2592.27 Joback Calculated Property
Cp,gas 9407.01 J/mol×K 2811.67 Joback Calculated Property
Cp,gas 12040.87 J/mol×K 3031.07 Joback Calculated Property

Similar Compounds

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

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

Sources

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