ChemSpider 2D Image | (S)-?3-tetrahydrocannabinol | C21H30O2

(S)-?3-tetrahydrocannabinol

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID32700761

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(9S)-6,6,9-Trimethyl-3-pentyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(9S)-6,6,9-Triméthyl-3-pentyl-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
(S)-?3-tetrahydrocannabinol
6H-Dibenzo[b,d]pyran-1-ol, 7,8,9,10-tetrahydro-6,6,9-trimethyl-3-pentyl-, (9S)- [ACD/Index Name]
95720-02-8 [RN]
(S)-7,8,9,10-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
9(S)-Δ6a,10a-THC
9(S)-Δ6a,10a-THC (exempt preparation)
δ3-Tetrahydrocannabinol, (S)-
More...

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

PYI73UAY3K [DBID]
UNII:PYI73UAY3K [DBID]
UNII-PYI73UAY3K [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 440.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 184.8±23.0 °C
Index of Refraction: 1.558
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 346916.56
ACD/KOC (pH 5.5): 321560.88
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 346269.25
ACD/KOC (pH 7.4): 320960.88
Polar Surface Area: 29 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 294.2±5.0 cm3

Click to predict properties on the Chemicalize site


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