Chemical Properties of (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA

(6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA

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InChI
InChI=1S/C29H25F15O13/c1-10-7-12(45)8-23(3,4)24(10,57-22(50)29(42,43)44)6-5-11(2)52-17-16(56-21(49)28(39,40)41)15(55-20(48)27(36,37)38)14(54-19(47)26(33,34)35)13(53-17)9-51-18(46)25(30,31)32/h5-7,11,13-17H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,24-/m0/s1
InChI Key
MIHGVFQWWLBUMI-HNVNEJNSSA-N
Formula
C29H25F15O13
SMILES
CC1=CC(=O)CC(C)(C)C1(C=CC(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)OC(=O)C(F)(F)F
Molecular Weight1
866.48
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Physical Properties

Property Value Unit Source
ΔfG° -4100.48 kJ/mol Joback Calculated Property
ΔfH°gas -5057.54 kJ/mol Joback Calculated Property
ΔfusH° 76.55 kJ/mol Joback Calculated Property
ΔvapH° 115.89 kJ/mol Joback Calculated Property
log10WS -7.58 Crippen Calculated Property
logPoct/wat 4.990 Crippen Calculated Property
McVol 466.210 ml/mol McGowan Calculated Property
Pc 648.45 kPa Joback Calculated Property
Inp 2317.00 NIST
Tboil 1358.55 K Joback Calculated Property
Tc 1820.86 K Joback Calculated Property
Tfus 949.92 K Joback Calculated Property
Vc 1.857 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1886.41; 2435.99] J/mol×K [1358.55; 1820.86] Show Hide
Cp,gas 1886.41 J/mol×K 1358.55 Joback Calculated Property
Cp,gas 1948.01 J/mol×K 1435.60 Joback Calculated Property
Cp,gas 2018.74 J/mol×K 1512.65 Joback Calculated Property
Cp,gas 2100.76 J/mol×K 1589.71 Joback Calculated Property
Cp,gas 2196.21 J/mol×K 1666.76 Joback Calculated Property
Cp,gas 2307.24 J/mol×K 1743.81 Joback Calculated Property
Cp,gas 2435.99 J/mol×K 1820.86 Joback Calculated Property

Similar Compounds

Vomifolyl «beta»-D-glucopyranoside, TFA. Vomifoliol, rutinoside, TFA. Vomifoliol, «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. Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. Codeine-propionyl. Ajmaline. Galantamin. 3-propionyl-morphine. Brucine.

Find more compounds similar to (6S,9R)-Vomifolyl 9-O-«beta»-D-glucopyranoside, TFA.

Sources

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