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-HYAJSXBFSA-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° 114.76 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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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. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 6-acetyl-3-propionyl-morphine. Hydromorphone, tert-butyldimethylsilyl ether. Dehydrojaconine. Neopine. Brucine.

Find more compounds similar to Vomifoliol, rutinoside, TFA.

Sources

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