Chemical Properties of azadirachtin

azadirachtin

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InChI
InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3
InChI Key
FTNJWQUOZFUQQJ-UHFFFAOYSA-N
Formula
C35H44O16
SMILES
CC=C(C)C(=O)OC1CC(OC(C)=O)C2(C(=O)OC)COC3C2C12COC(O)(C(=O)OC)C2C(C)(C12OC1(C)C1CC2OC2OC=CC21O)C3O
Molecular Weight1
720.72
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Physical Properties

Property Value Unit Source
ΔfG° -1081.70 kJ/mol Joback Calculated Property
ΔfH°gas -2188.53 kJ/mol Joback Calculated Property
ΔfusH° 93.09 kJ/mol Joback Calculated Property
ΔvapH° 192.34 kJ/mol Joback Calculated Property
log10WS -3.17 Crippen Calculated Property
logPoct/wat -0.203 Crippen Calculated Property
McVol 485.250 ml/mol McGowan Calculated Property
Pc 1185.79 kPa Joback Calculated Property
Tboil 1750.90 K Joback Calculated Property
Tc 2466.26 K Joback Calculated Property
Tfus 447.15 ± 1.00 K Solubil...
Vc 1.831 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [5302.78; 16947.24] J/mol×K [1750.90; 2466.26] Show Hide
Cp,gas 5302.78 J/mol×K 1750.90 Joback Calculated Property
Cp,gas 6504.17 J/mol×K 1870.13 Joback Calculated Property
Cp,gas 7963.96 J/mol×K 1989.35 Joback Calculated Property
Cp,gas 9710.15 J/mol×K 2108.58 Joback Calculated Property
Cp,gas 11770.75 J/mol×K 2227.80 Joback Calculated Property
Cp,gas 14173.78 J/mol×K 2347.03 Joback Calculated Property
Cp,gas 16947.24 J/mol×K 2466.26 Joback Calculated Property

Similar Compounds

QUINIDINE, M(HO-), AC. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. 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 azadirachtin.

Sources

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