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

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

PDF Excel Molecule Calculator
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
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
Δf -5592.58 kJ/mol Joback Calculated Property
Δfgas -7084.93 kJ/mol Joback Calculated Property
Δfus 121.24 kJ/mol Joback Calculated Property
Δvap 160.23 kJ/mol Joback Calculated Property
log10WS -11.80 Crippen Calculated Property
logPoct/wat 8.500 Crippen Calculated Property
McVol 679.080 ml/mol McGowan Calculated Property
Pc 359.11 kPa Joback Calculated Property
Inp 3298.00 NIST
Tboil 1826.65 K Joback Calculated Property
Tc 3978.91 K Joback Calculated Property
Tfus 1270.76 K Joback Calculated Property
Vc 2.715 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [3570.24; 31641.93] J/mol×K [1826.65; 3978.91] Show Hide
Cp,gas 3570.24 J/mol×K 1826.65 Joback Calculated Property
Cp,gas 4802.22 J/mol×K 2185.36 Joback Calculated Property
Cp,gas 6975.41 J/mol×K 2544.07 Joback Calculated Property
Cp,gas 10417.89 J/mol×K 2902.78 Joback Calculated Property
Cp,gas 15457.75 J/mol×K 3261.49 Joback Calculated Property
Cp,gas 22423.06 J/mol×K 3620.20 Joback Calculated Property
Cp,gas 31641.93 J/mol×K 3978.91 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)-«beta»-D-galactopyranose, TFA. 1-O-(24-deoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-chenodeoxycholyl)-«beta»-D-galactopyranose, TFA. 1-O-(24-ursodeoxycholyl)-«alpha»-D-glucopyranose, TFA. 1-O-(24-hyodeoxycholyl)-«beta»-D-glucopyranose, TFA. 1-O-(24-hyodeoxycholyl)-«alpha»-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-cholyl)-«beta»-D-glucopyranose, TFA.

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.