Chemical Properties of (S)-Linalol rutinoside, TFA

(S)-Linalol rutinoside, TFA

InChI
InChI=1S/C34H32F18O16/c1-6-28(5,9-7-8-11(2)3)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)10-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(12(4)60-20)62-22(53)29(35,36)37/h6,8,12-21H,1,7,9-10H2,2-5H3/t12-,13+,14-,15+,16+,17-,18+,19+,20+,21-,28?/m0/s1
InChI Key
GMMCRRIKSGFQIA-AYVOIJCJSA-N
Formula
C34H32F18O16
SMILES
C=CC(C)(CCC=C(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H]2OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H](OC(=O)C(F)(F)F)[C@H]1OC(=O)C(F)(F)F
Molecular Weight1
1038.58
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Physical Properties

Property Value Unit Source
ΔfusH° 121.76 kJ/mol Joback Calculated Property
logPoct/wat 6.025 Crippen Calculated Property
McVol 559.580 ml/mol McGowan Calculated Property
Inp [2124.00; 2130.00]   Show Hide
Inp 2124.00 NIST
Inp 2130.00 NIST
Inp 2124.00 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 [1538.79; 1997.74] J/mol×K [1392.29; 2094.35] Show Hide
Cp,gas 1997.74 J/mol×K 1392.29 Joback Calculated Property
Cp,gas 1948.29 J/mol×K 1509.30 Joback Calculated Property
Cp,gas 1883.06 J/mol×K 1626.31 Joback Calculated Property
Cp,gas 1805.76 J/mol×K 1743.32 Joback Calculated Property
Cp,gas 1720.13 J/mol×K 1860.33 Joback Calculated Property
Cp,gas 1629.89 J/mol×K 1977.34 Joback Calculated Property
Cp,gas 1538.79 J/mol×K 2094.35 Joback Calculated Property

Similar Compounds

( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. Linalool, Gly, TFA. (S)-LInalool, B-D-Glu, TFA. (S)-Linalol «beta»-D-glucopyranoside, TFA. furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. furan linalyloxide «beta»-D-glucopyranoside ( Z/ E), TFA. Linalool oxide (furanoid), trans, «beta»-D-glucopyranoside, TFA. Linalool oxide (furanoid) «beta»-D-glucopyranoside, TFA. (Z)-Linalol furanoxide «beta»-D-glucopyranoside, TFA. furan linalyloxide «beta»-D-glucopyranoside ( E/ Z), TFA. Linalool oxide (pyranoid), trans, «beta»-D-glucopyranoside, TFA. Linalool oxide (pyranoid), cis, «beta»-D-glucopyranoside, TFA. 3-Oxo-.alpha.-ionol, Gly, TFA. 4-Oxo-«beta»-ionol, Gly, TFA. neryl 6- O-(.beta.-D-apiofuranosyl)-.beta.-D-glucopyranoside, TFA.

Find more compounds similar to (S)-Linalol rutinoside, TFA.

Sources

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