Chemical Properties of Axillaridine

Axillaridine

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InChI
InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19?,21-,22+,23-,24-,25-,29+,30+/m1/s1
InChI Key
ZMAOKPMWBVUQPK-NMWVCJJNSA-N
Formula
C30H42N2O2
SMILES
CC(C1CCC2C3CCC4C(=O)C(NC(=O)c5ccccc5)=CCC4(C)C3CCC12C)N(C)C
Molecular Weight1
462.67
Sources

Physical Properties

Property Value Unit Source
Δf 429.07 kJ/mol Joback Calculated Property
Δfgas -284.39 kJ/mol Joback Calculated Property
Δfus 46.69 kJ/mol Joback Calculated Property
Δvap 101.97 kJ/mol Joback Calculated Property
logPoct/wat 5.70 Crippen Calculated Property
Pc 1116.31 kPa Joback Calculated Property
Tboil 1135.26 K Joback Calculated Property
Tc 1397.24 K Joback Calculated Property
Tfus 745.08 K Joback Calculated Property
Vc 1.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1554.97 J/mol×K 1135.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
>C=O (ring) 1
=CH- (ring) 6
=C< (ring) 2
>N- 1
>NH 1
>C< (ring) 2
>C=O (nonring) 1
-CH3 5
>CH- (ring) 5
-CH2- (ring) 7

Similar Compounds

5Alpha-cycloandrostan-17-one, 6beta-p-nitrobenzamido-3alpha-. 6Alpha-(p-nitrobenzamido)-3alpha,5-cyclo-5alpha-androstan-17-one. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydroindolo[2,3-c]-quinazo-[3,2-a]-pyridine tartrate sesquihydrate. 3-O,6-O,N-Triacetylnormorphine. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Cacotheline. 6-O,N-Diacetylnorcodeine. Nalorphine, bis(trimethylsilyl) ether. Cyanocobalamin. Diacetylmorphine. Morphine, diacetyl-, hydrochloride. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-(trimethylsilyl)-, (5«alpha»,6«alpha»)-. Ethylmorphine, trimethylsilyl ether. Codeinone, 14-hydroxy-. Tetracycline hydrochloride.

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