Chemical Properties of Ouabain

Ouabain

InChI
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3
InChI Key
LPMXVESGRSUGHW-UHFFFAOYSA-N
Formula
C29H44O12
SMILES
CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O
Molecular Weight1
584.65
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Physical Properties

Property Value Unit Source
ω 1.3211 Relay (1.0) Calculated Property
ΔfG° -1128.61 kJ/mol Joback Calculated Property
ΔfH°gas -1959.18 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 73.32 kJ/mol Joback Calculated Property
ΔvapH° 257.06 kJ/mol Relay (1.0) Calculated Property
IE 8.78 eV Relay (1.0) Calculated Property
log10WS -2.49 Relay (1.0) Calculated Property
logPoct/wat -1.515 Crippen Calculated Property
McVol 416.150 ml/mol McGowan Calculated Property
Pc 1838.84 kPa Joback Calculated Property
Tboil 859.02 K Relay (1.0) Calculated Property
Tc 1336.03 K Relay (1.0) Calculated Property
Tfus 517.57 K Relay (1.0) Calculated Property
Vc 1.583 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [3563.07; 18065.66] J/mol×K [1790.71; 3032.45] Show Hide
Cp,gas 3563.07 J/mol×K 1790.71 Joback Calculated Property
Cp,gas 4693.50 J/mol×K 1997.67 Joback Calculated Property
Cp,gas 6236.38 J/mol×K 2204.62 Joback Calculated Property
Cp,gas 8268.38 J/mol×K 2411.58 Joback Calculated Property
Cp,gas 10866.15 J/mol×K 2618.54 Joback Calculated Property
Cp,gas 14106.36 J/mol×K 2825.49 Joback Calculated Property
Cp,gas 18065.66 J/mol×K 3032.45 Joback Calculated Property

Similar Compounds

Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Digitoxin. azadirachtin. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Ouabain.

Sources

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