Chemical Properties of «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate

«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate

InChI
InChI=1S/C26H37BO4/c1-6-8-10-11-18-16-21-23(19-15-17(3)12-13-20(19)26(4,5)29-21)24-22(18)25(28)31-27(30-24)14-9-7-2/h15-16,19-20H,6-14H2,1-5H3
InChI Key
MPEYXOZBJHRNIG-UHFFFAOYSA-N
Formula
C26H37BO4
SMILES
CCCCCc1cc2c(c3c1C(=O)OB(CCCC)O3)C1C=C(C)CCC1C(C)(C)O2
Molecular Weight1
424.38
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Physical Properties

Property Value Unit Source
ω 0.9356 Relay (1.0) Calculated Property
ΔfG° -265.66 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -830.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 122.22 kJ/mol Relay (1.0) Calculated Property
IE 7.93 eV Relay (1.0) Calculated Property
log10WS -7.10 Relay (1.0) Calculated Property
logPoct/wat 6.868 Crippen Calculated Property
Pc 446.80 kPa Relay (1.0-beta) Calculated Property
Inp [3000.00; 3000.00]   Show Hide
Inp 3000.00 NIST
Inp 3000.00 NIST
Tboil 734.05 K Relay (1.0) Calculated Property
Tc 987.06 K Relay (1.0) Calculated Property
Tfus 377.24 K Relay (1.0) Calculated Property
Vc 1.300 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, methyl-boronate. «delta»1-tetrahydrocannabinolic acid, methyl-boronate. «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. 6-acetyl-3-propionyl-morphine. 3-O,6-O,N-Triacetylnormorphine. Codeine. TCN. Nicocodine. Benzylmorphine. 13«beta»-Acetoxyanagyrine. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate.

Sources

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