ChemSpider 2D Image | (2S,3R,11bR)-3-Isobutyl-9,10-bis[(~2~H_3_)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol | C19H23D6NO3

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

  • Molecular FormulaC19H23D6NO3
  • Average mass325.475 Da
  • Monoisotopic mass325.252411 Da
  • ChemSpider ID107450491

  • 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

(2S,3R,11bR)-3-Isobutyl-9,10-bis[(2H3)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin-2-ol [German] [ACD/IUPAC Name]
(2S,3R,11bR)-3-Isobutyl-9,10-bis[(2H3)méthyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-ol [French] [ACD/IUPAC Name]
(2S,3R,11bR)-3-Isobutyl-9,10-bis[(2H3)methyloxy]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol [ACD/IUPAC Name]
2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-bis(methyl-d3-oxy)-3-(2-methylpropyl)-, (2S,3R,11bR)- [ACD/Index Name]
1583277-32-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.7±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 15.34
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 101.75
ACD/KOC (pH 7.4): 710.07
Polar Surface Area: 42 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 282.7±5.0 cm3

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