Chemical Properties of ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA

( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA

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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?/m1/s1
InChI Key
GMMCRRIKSGFQIA-ROFHJHPHSA-N
Formula
C34H32F18O16
SMILES
C=CC(C)(CCC=C(C)C)OC1OC(COC2OC(C)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC(=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
Molecular Weight1
1038.58
Other Names
  • Linalool, Rut, TFA
Sources

Physical Properties

Property Value Unit Source
Δf -4890.33 kJ/mol Joback Calculated Property
Δfgas -6154.78 kJ/mol Joback Calculated Property
Δfus 112.26 kJ/mol Joback Calculated Property
Δvap 134.03 kJ/mol Joback Calculated Property
logPoct/wat 6.03 Crippen Calculated Property
Pc 454.63 kPa Joback Calculated Property
Tboil 1500.51 K Joback Calculated Property
Tc 2374.90 K Joback Calculated Property
Tfus 991.10 K Joback Calculated Property
Vc 2.23 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2007.14 J/mol×K 1500.51 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 8
-O- (ring) 2
=C< 1
>C=O (nonring) 6
=CH2 1
-CH2- 3
-F 18
>C< 7
=CH- 2
-CH3 4
>CH- (ring) 10

Similar Compounds

(S)-Linalol rutinoside, TFA. (S)-LInalool, B-D-Glu, TFA. (S)-Linalol «beta»-D-glucopyranoside, TFA. Linalool, Gly, TFA. Nerol, Gly, TFA. geranyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. Geraniol, «beta»-D-glycopyranoside, TFA. neryl «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. geranyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. Linalool oxide (pyranoid), trans, «beta»-D-glucopyranoside, TFA.

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