Chemical Properties of Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL)

Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL)

PDF Excel Molecule Calculator
InChI
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3
InChI Key
LTMHDMANZUZIPE-UHFFFAOYSA-N
Formula
C41H64O14
SMILES
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O
Molecular Weight1
780.95
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Physical Properties

Property Value Unit Source
Δf -1112.62 kJ/mol Joback Calculated Property
Δfgas -2553.86 kJ/mol Joback Calculated Property
Δfus 108.81 kJ/mol Joback Calculated Property
Δvap 231.99 kJ/mol Joback Calculated Property
log10WS [-4.12; -4.08]   Show Hide
log10WS -4.12 Aq. Sol...
log10WS -4.08 Estimat...
logPoct/wat 2.218 Crippen Calculated Property
McVol 575.250 ml/mol McGowan Calculated Property
Pc 822.42 kPa Joback Calculated Property
Tboil 1999.83 K Joback Calculated Property
Tc 3697.46 K Joback Calculated Property
Tfus 1275.00 K Joback Calculated Property
Vc 2.086 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [4123.27; 22901.02] J/mol×K [1999.83; 3697.46] Show Hide
Cp,gas 4123.27 J/mol×K 1999.83 Joback Calculated Property
Cp,gas 5342.13 J/mol×K 2282.77 Joback Calculated Property
Cp,gas 7135.76 J/mol×K 2565.71 Joback Calculated Property
Cp,gas 9646.31 J/mol×K 2848.64 Joback Calculated Property
Cp,gas 13015.93 J/mol×K 3131.58 Joback Calculated Property
Cp,gas 17386.79 J/mol×K 3414.52 Joback Calculated Property
Cp,gas 22901.02 J/mol×K 3697.46 Joback Calculated Property

Similar Compounds

Digitoxin. Ouabain. O-Acetylcrotavernine. T-2 Mycotoxin. Neosenkirkine. Renardine. O-Crotaverrine. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. azadirachtin. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Floridanine (otonecine-acetyljacoline). Dihydromorphine , di(trimehylsilyl) ether. Galantamin. Neopine.

Find more compounds similar to Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL).

Sources

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