ChemSpider 2D Image | (6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate | C22H29O4

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate

  • Molecular FormulaC22H29O4
  • Average mass357.464 Da
  • Monoisotopic mass357.207123 Da
  • ChemSpider ID28533073

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-2-carboxylat [German] [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylate [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6,9-triméthyl-3-pentyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromène-2-carboxylate [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-2-carboxylic acid, 6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, ion(1-), (6aR,10aR)- [ACD/Index Name]
&δ
&δ;<sup>9</sup>-tetrahydrocannabinolic acid
9-tetrahydrocannabinolate
1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid [ACD/IUPAC Name]
THCA
δ(1)-tetrahydrocannabinolate
More...
  • Miscellaneous

    • Chemical Class:

      A hydroxy monocarboxylic acid anion that is the conjugate base of Delta(9)-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:66963
      A hydroxy monocarboxylic acid anion that is the conjugate base of Delta9-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:66963

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 436.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 142.1±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 1116.92
ACD/KOC (pH 5.5): 850.25
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 498.92
ACD/KOC (pH 7.4): 379.80
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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