Chemical Properties of Vomifoliol, rutinoside, TFA

Vomifoliol, rutinoside, TFA

PDF Excel Molecule Calculator
InChI
InChI=1S/C38H31F21O19/c1-11(5-7-31(78-29(67)38(57,58)59)8-6-13(60)9-30(31,3)4)69-22-20(77-28(66)37(54,55)56)18(75-26(64)35(48,49)50)16(73-24(62)33(42,43)44)14(71-22)10-68-21-19(76-27(65)36(51,52)53)17(74-25(63)34(45,46)47)15(12(2)70-21)72-23(61)32(39,40)41/h5-8,11-12,14-22H,9-10H2,1-4H3/b7-5+/t11?,12-,14+,15-,16+,17+,18-,19+,20+,21+,22+,31?/m1/s1
InChI Key
DGJXAFGHCBDCHS-HYAJSXBFSA-N
Formula
C38H31F21O19
SMILES
CC(C=CC1(OC(=O)C(F)(F)F)C=CC(=O)CC1(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
1190.61
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Physical Properties

Property Value Unit Source
Δf -5843.60 kJ/mol Joback Calculated Property
Δfgas -7206.85 kJ/mol Joback Calculated Property
Δfus 114.76 kJ/mol Joback Calculated Property
Δvap 152.20 kJ/mol Joback Calculated Property
log10WS -9.52 Crippen Calculated Property
logPoct/wat 5.678 Crippen Calculated Property
McVol 619.400 ml/mol McGowan Calculated Property
Pc 421.81 kPa Joback Calculated Property
Inp 2350.00 NIST
Tboil 1751.47 K Joback Calculated Property
Tc 3314.43 K Joback Calculated Property
Tfus 1230.75 K Joback Calculated Property
Vc 2.463 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [2737.63; 10159.66] J/mol×K [1751.47; 3314.43] Show Hide
Cp,gas 2737.63 J/mol×K 1751.47 Joback Calculated Property
Cp,gas 3102.90 J/mol×K 2011.96 Joback Calculated Property
Cp,gas 3704.14 J/mol×K 2272.46 Joback Calculated Property
Cp,gas 4625.90 J/mol×K 2532.95 Joback Calculated Property
Cp,gas 5952.71 J/mol×K 2793.45 Joback Calculated Property
Cp,gas 7769.12 J/mol×K 3053.94 Joback Calculated Property
Cp,gas 10159.66 J/mol×K 3314.43 Joback Calculated Property

Similar Compounds

Vomifoliol, «beta»-D-glucopyranoside, TFA. Vomifolyl «beta»-D-glucopyranoside, TFA. (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. 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. azadirachtin. 3',5'-Diacetylthymidine. Codeine-propionyl. Ajmaline. Galantamin. 3-propionyl-morphine. Brucine. TCN.

Find more compounds similar to Vomifoliol, rutinoside, TFA.

Sources

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