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

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

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InChI
InChI=1S/C33H30F18O16/c1-12(2)5-4-6-13(3)7-8-58-19-17(65-24(55)31(43,44)45)16(64-23(54)30(40,41)42)15(63-22(53)29(37,38)39)14(62-19)9-59-20-18(66-25(56)32(46,47)48)27(10-60-20,67-26(57)33(49,50)51)11-61-21(52)28(34,35)36/h5,7,14-20H,4,6,8-11H2,1-3H3/b13-7-/t14-,15-,16+,17-,18+,19-,20-,27?/m0/s1
InChI Key
JDKOMIBOSXQNFU-NVRVFREMSA-N
Formula
C33H30F18O16
SMILES
CC(C)=CCCC(C)=CCOC1OC(COC2OCC(COC(=O)C(F)(F)F)(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
1024.55
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Physical Properties

Property Value Unit Source
Δf -4895.73 kJ/mol Joback Calculated Property
Δfgas -6081.31 kJ/mol Joback Calculated Property
Δfus 110.92 kJ/mol Joback Calculated Property
Δvap 133.10 kJ/mol Joback Calculated Property
log10WS -8.52 Crippen Calculated Property
logPoct/wat 5.640 Crippen Calculated Property
McVol 545.490 ml/mol McGowan Calculated Property
Pc 491.20 kPa Joback Calculated Property
Inp 2213.00 NIST
Tboil 1493.53 K Joback Calculated Property
Tc 2347.96 K Joback Calculated Property
Tfus 996.03 K Joback Calculated Property
Vc 2.192 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [2158.48; 3288.04] J/mol×K [1493.53; 2347.96] Show Hide
Cp,gas 2158.48 J/mol×K 1493.53 Joback Calculated Property
Cp,gas 2237.82 J/mol×K 1635.94 Joback Calculated Property
Cp,gas 2345.02 J/mol×K 1778.34 Joback Calculated Property
Cp,gas 2491.85 J/mol×K 1920.75 Joback Calculated Property
Cp,gas 2690.12 J/mol×K 2063.15 Joback Calculated Property
Cp,gas 2951.59 J/mol×K 2205.56 Joback Calculated Property
Cp,gas 3288.04 J/mol×K 2347.96 Joback Calculated Property

Similar Compounds

geranyl 6- O-(«alpha»-L-arabinofuranosyl)-«beta»-D-glucopyranoside, TFA. neryl «beta»-D-glucopyranoside, TFA. Geraniol, «beta»-D-glycopyranoside, TFA. geranyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. Nerol, Gly, TFA. ( S)-linalyl 6- O-(«alpha»-L-rhamonopyranosyl)-«beta»-D-glucopyranoside, TFA. (S)-Linalol rutinoside, TFA. 4-Oxo-«beta»-ionol, Gly, TFA. furanlinalyloxide 6- O-(«beta»-D-apiofuranosyl)-«beta»-D-glucopyranoside, TFA. «alpha»-Terpineol, rutinoside, TFA. (S)-Linalol «beta»-D-glucopyranoside, TFA. Linalool, Gly, TFA. (S)-LInalool, B-D-Glu, TFA. 3-Oxo-«alpha»-ionol, Gly, TFA. «alpha»-Terpineol, «beta»-D-glucopyranoside, TFA.

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

Sources

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