ChemSpider 2D Image | (2R,3R,11bR)-3-Isobutyl-10-[(~2~H_3_)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2,9-diol | C18H24D3NO3

(2R,3R,11bR)-3-Isobutyl-10-[(2H3)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2,9-diol

  • Molecular FormulaC18H24D3NO3
  • Average mass308.430 Da
  • Monoisotopic mass308.217926 Da
  • ChemSpider ID107450691

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3R,11bR)-3-Isobutyl-10-[(2H3)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2,9-diol [German] [ACD/IUPAC Name]
(2R,3R,11bR)-3-Isobutyl-10-[(2H3)méthyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléine-2,9-diol [French] [ACD/IUPAC Name]
(2R,3R,11bR)-3-Isobutyl-10-[(2H3)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline-2,9-diol [ACD/IUPAC Name]
2H-Benzo[a]quinolizine-2,9-diol, 1,3,4,6,7,11b-hexahydro-10-(methyl-d3-oxy)-3-(2-methylpropyl)-, (2R,3R,11bR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 9.41
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 47.29
ACD/KOC (pH 7.4): 419.16
Polar Surface Area: 53 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 257.7±5.0 cm3

Click to predict properties on the Chemicalize site


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