Chemical Properties of (S)-Linalol «beta»-D-glucopyranoside, TFA

(S)-Linalol «beta»-D-glucopyranoside, TFA

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InChI
InChI=1S/C24H24F12O10/c1-5-20(4,8-6-7-10(2)3)46-15-14(45-19(40)24(34,35)36)13(44-18(39)23(31,32)33)12(43-17(38)22(28,29)30)11(42-15)9-41-16(37)21(25,26)27/h5,7,11-15H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15+,20?/m0/s1
InChI Key
PXNCKBQISHIDRF-DRFXTBLLSA-N
Formula
C24H24F12O10
SMILES
C=CC(C)(CCC=C(C)C)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
Molecular Weight1
700.42
Sources

Physical Properties

Property Value Unit Source
Δf -3146.00 kJ/mol Joback Calculated Property
Δfgas -3973.36 kJ/mol Joback Calculated Property
Δfus 71.85 kJ/mol Joback Calculated Property
Δvap 94.84 kJ/mol Joback Calculated Property
logPoct/wat 4.95 Crippen Calculated Property
Pc 755.99 kPa Joback Calculated Property
Tboil 1079.73 K Joback Calculated Property
Tc 1353.82 K Joback Calculated Property
Tfus 686.48 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1394.39 J/mol×K 1079.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 5
-O- (ring) 1
=C< 1
>C=O (nonring) 4
=CH2 1
-CH2- 3
-F 12
>C< 5
=CH- 2
-CH3 3
>CH- (ring) 5

Similar Compounds

(S)-LInalool, B-D-Glu, TFA. Linalool, Gly, TFA. (S)-Linalol rutinoside, TFA. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. Nerol, Gly, TFA. geranyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. neryl «beta»-D-glucopyranoside, TFA. Geraniol, «beta»-D-glycopyranoside, TFA. furan linalyloxide «beta»-D-glucopyranoside ( Z/ E), TFA. Linalool oxide (furanoid) «beta»-D-glucopyranoside, TFA. (Z)-Linalol furanoxide «beta»-D-glucopyranoside, TFA. Linalool oxide (furanoid), trans, «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.

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