Chemical Properties of Ouabain

Ouabain

PDF Excel Molecule Calculator
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -1128.61 kJ/mol Joback Calculated Property
Δfgas -2094.24 kJ/mol Joback Calculated Property
Δfus 73.32 kJ/mol Joback Calculated Property
Δvap 224.02 kJ/mol Joback Calculated Property
log10WS -2.73 Crippen 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 1790.71 K Joback Calculated Property
Tc 3032.45 K Joback Calculated Property
Tfus 1189.90 K Joback Calculated Property
Vc 1.510 m3/kmol Joback 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

Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). azadirachtin. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Nalmefene, trimethylsilyl ether. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Paclitaxel. 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. [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»)-. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Ouabain.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.