ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C21H21D9O2

(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H21D9O2
  • Average mass323.517 Da
  • Monoisotopic mass323.281067 Da
  • ChemSpider ID23977079
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-(pentyl-2,2,3,3,4,4,5,5,5-d9)-, (6aR,10aR)- [ACD/Index Name]
?9-THC-d9
6aR,7,8,10aR-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol-d9
76448-35-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 390.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 149.3±22.1 °C
Index of Refraction: 1.529
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 191538.52
ACD/KOC (pH 5.5): 210188.50
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 190809.75
ACD/KOC (pH 7.4): 209388.77
Polar Surface Area: 29 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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