ChemSpider 2D Image | (13aS)-10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one | C19H17NO5

(13aS)-10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one

  • Molecular FormulaC19H17NO5
  • Average mass339.342 Da
  • Monoisotopic mass339.110687 Da
  • ChemSpider ID21174903

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(13aS)-10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-8H-[1,3]dioxolo[4,5-g]isochinolino[3,2-a]isochinolin-8-on [German] [ACD/IUPAC Name]
(13aS)-10-Hydroxy-9-méthoxy-5,6,13,13a-tétrahydro-8H-[1,3]dioxolo[4,5-g]isoquinoléino[3,2-a]isoquinoléin-8-one [French] [ACD/IUPAC Name]
(13aS)-10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one [ACD/IUPAC Name]
8H-1,3-Benzodioxolo[5,6-a]benzo[g]quinolizin-8-one, 5,6,13,13a-tetrahydro-10-hydroxy-9-methoxy-, (13aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 598.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.49
ACD/KOC (pH 5.5): 401.75
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.24
ACD/KOC (pH 7.4): 398.51
Polar Surface Area: 68 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 225.5±5.0 cm3

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