Chemical Properties of Vomifoliol, «beta»-D-glucopyranoside, TFA

Vomifoliol, «beta»-D-glucopyranoside, TFA

InChI
InChI=1S/C28H23F15O13/c1-10(4-6-23(56-21(49)28(41,42)43)7-5-11(44)8-22(23,2)3)51-16-15(55-20(48)27(38,39)40)14(54-19(47)26(35,36)37)13(53-18(46)25(32,33)34)12(52-16)9-50-17(45)24(29,30)31/h4-7,10,12-16H,8-9H2,1-3H3/b6-4+/t10?,12-,13-,14+,15-,16-,23?/m0/s1
InChI Key
IRFPMKAVAOLFLX-IXQDIEQASA-N
Formula
C28H23F15O13
SMILES
CC(C=CC1(OC(=O)C(F)(F)F)C=CC(=O)CC1(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
852.45
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Physical Properties

Property Value Unit Source
ω 1.0107 Relay (1.0) Calculated Property
Δf -4099.27 kJ/mol Joback Calculated Property
Δfgas -5204.14 kJ/mol Relay (1.0) Calculated Property
Δfus 74.35 kJ/mol Joback Calculated Property
Δvap 137.83 kJ/mol Relay (1.0) Calculated Property
IE 10.30 eV Relay (1.0) Calculated Property
log10WS -7.63 Relay (1.0) Calculated Property
logPoct/wat 4.600 Crippen Calculated Property
McVol 452.120 ml/mol McGowan Calculated Property
Pc 686.73 kPa Joback Calculated Property
Inp 2319.00 NIST
Tboil 652.29 K Relay (1.0) Calculated Property
Tc 832.66 K Relay (1.0) Calculated Property
Tfus 398.82 K Relay (1.0) Calculated Property
Vc 1.655 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1813.56; 2287.18] J/mol×K [1330.69; 1759.15] Show Hide
Cp,gas 1813.56 J/mol×K 1330.69 Joback Calculated Property
Cp,gas 1868.02 J/mol×K 1402.10 Joback Calculated Property
Cp,gas 1929.95 J/mol×K 1473.51 Joback Calculated Property
Cp,gas 2001.10 J/mol×K 1544.92 Joback Calculated Property
Cp,gas 2083.19 J/mol×K 1616.33 Joback Calculated Property
Cp,gas 2177.97 J/mol×K 1687.74 Joback Calculated Property
Cp,gas 2287.18 J/mol×K 1759.15 Joback Calculated Property

Similar Compounds

Vomifoliol, rutinoside, TFA. Vomifolyl «beta»-D-glucopyranoside, TFA. (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA. Vomifoliol 1A, Gly, TFA. Vomifoliol 2A, Gly, TFA. azadirachtin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. 3',5'-Diacetylthymidine. ethylmorphine, propionic ester. uridine-2'(3')-monophosphate, TMS. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

Find more compounds similar to Vomifoliol, «beta»-D-glucopyranoside, TFA.

Sources

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