Chemical Properties of Actinodaphnine

Actinodaphnine

InChI
InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3
InChI Key
VYJUHRAQPIBWNV-UHFFFAOYSA-N
Formula
C18H17NO4
SMILES
COc1cc2c(cc1O)CC1NCCc3cc4c(c-2c31)OCO4
Molecular Weight1
311.34
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Physical Properties

Property Value Unit Source
ΔfusH° 55.01 kJ/mol Joback Calculated Property
logPoct/wat 2.539 Crippen Calculated Property
McVol 217.840 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [701.48; 799.12] J/mol×K [925.26; 1184.87] Show Hide
Cp,gas 701.48 J/mol×K 925.26 Joback Calculated Property
Cp,gas 716.81 J/mol×K 968.53 Joback Calculated Property
Cp,gas 732.18 J/mol×K 1011.80 Joback Calculated Property
Cp,gas 747.85 J/mol×K 1055.06 Joback Calculated Property
Cp,gas 764.06 J/mol×K 1098.33 Joback Calculated Property
Cp,gas 781.06 J/mol×K 1141.60 Joback Calculated Property
Cp,gas 799.12 J/mol×K 1184.87 Joback Calculated Property

Similar Compounds

N-Methyllaurotetanine. (+)-Roemerine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. 6-O,N-Diacetylnorcodeine. 3-O,6-O,N-Triacetylnormorphine. ERGOCRYPTINE. Ajmaline. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Benzylmorphine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Galantamin. PACLITAXEL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). AJMALINE, M(DIHYDRO-), AC.

Find more compounds similar to Actinodaphnine.

Sources

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