Chemical Properties of furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA

furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA

InChI
InChI=1S/C33H30F18O17/c1-5-26(4)7-6-12(66-26)25(2,3)67-17-15(64-22(55)31(43,44)45)14(63-21(54)30(40,41)42)13(62-20(53)29(37,38)39)11(61-17)8-58-18-16(65-23(56)32(46,47)48)27(9-59-18,68-24(57)33(49,50)51)10-60-19(52)28(34,35)36/h5,11-18H,1,6-10H2,2-4H3/t11-,12?,13-,14+,15-,16+,17+,18-,26-,27?/m0/s1
InChI Key
FGBDKAZTUKSWQV-GGZOKKFMSA-N
Formula
C33H30F18O17
SMILES
C=CC1(C)CCC(C(C)(C)OC2OC(COC3OCC(COC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)C3OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=O)C(F)(F)F)O1
Molecular Weight1
1040.55
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
ΔfusH° 101.13 kJ/mol Joback Calculated Property
logPoct/wat 4.849 Crippen Calculated Property
McVol 544.800 ml/mol McGowan Calculated Property
Inp 2167.00 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 [2387.33; 4434.54] J/mol×K [1516.70; 2298.89] Show Hide
Cp,gas 2387.33 J/mol×K 1516.70 Joback Calculated Property
Cp,gas 2554.90 J/mol×K 1647.07 Joback Calculated Property
Cp,gas 2774.70 J/mol×K 1777.43 Joback Calculated Property
Cp,gas 3059.65 J/mol×K 1907.80 Joback Calculated Property
Cp,gas 3422.67 J/mol×K 2038.16 Joback Calculated Property
Cp,gas 3876.66 J/mol×K 2168.53 Joback Calculated Property
Cp,gas 4434.54 J/mol×K 2298.89 Joback Calculated Property

Similar Compounds

Linalool oxide (furanoid), trans, «beta»-D-glucopyranoside, TFA. (Z)-Linalol furanoxide «beta»-D-glucopyranoside, TFA. furan linalyloxide «beta»-D-glucopyranoside ( E/ Z), TFA. Linalool oxide (furanoid) «beta»-D-glucopyranoside, TFA. furan linalyloxide «beta»-D-glucopyranoside ( Z/ E), TFA. Linalool oxide (pyranoid), cis, «beta»-D-glucopyranoside, TFA. Linalool oxide (pyranoid), trans, «beta»-D-glucopyranoside, TFA. (S)-Linalol rutinoside, TFA. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. (S)-LInalool, B-D-Glu, TFA. Linalool, Gly, TFA. (S)-Linalol «beta»-D-glucopyranoside, TFA. 3,6-Epoxy-7-megastigmen-5,9-diol «beta»-D-glucopyranoside, TFA. neryl 6- O-(.beta.-D-apiofuranosyl)-.beta.-D-glucopyranoside, TFA. 3-Oxo-.alpha.-ionol, Gly, TFA.

Find more compounds similar to furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, 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.