Chemical Properties of Vomifoliol, rutinoside, TFA

Vomifoliol, rutinoside, TFA

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?/m0/s1
InChI Key
DGJXAFGHCBDCHS-BZNYMTMJSA-N
Formula
C38H31F21O19
SMILES
CC(/C=C/C1(OC(=O)C(F)(F)F)C=CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H]2OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H](OC(=O)C(F)(F)F)[C@H]1OC(=O)C(F)(F)F
Molecular Weight1
1190.61
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Physical Properties

Property Value Unit Source
ΔfusH° 125.83 kJ/mol Joback Calculated Property
logPoct/wat 5.678 Crippen Calculated Property
McVol 619.400 ml/mol McGowan Calculated Property
Inp 2350.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [1037.20; 2238.95] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.65490e+01
Coefficient B4.73948e+00
Coefficient C-3.31828e-03
Coefficient D8.44300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 1037.20 J/mol×K 273.00 Calculated Property
Cp,gas 1272.25 J/mol×K 353.78 Calculated Property
Cp,gas 1475.68 J/mol×K 434.56 Calculated Property
Cp,gas 1650.18 J/mol×K 515.33 Calculated Property
Cp,gas 1798.41 J/mol×K 596.11 Calculated Property
Cp,gas 1923.04 J/mol×K 676.89 Calculated Property
Cp,gas 2026.73 J/mol×K 757.67 Calculated Property
Cp,gas 2112.17 J/mol×K 838.44 Calculated Property
Cp,gas 2182.02 J/mol×K 919.22 Calculated Property
Cp,gas 2238.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

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. Hydromorphone, trimethylsilyl ether. Codeine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). acetylepibaptifoline. Ethylmorphine, trimethylsilyl ether. Galantamin. Deserpidine.

Find more compounds similar to Vomifoliol, rutinoside, TFA.

Sources

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