ChemSpider 2D Image | (3aR,12cS)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine | C16H19NO2

(3aR,12cS)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine

  • Molecular FormulaC16H19NO2
  • Average mass257.328 Da
  • Monoisotopic mass257.141571 Da
  • ChemSpider ID35517992

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3aR,12cS)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin [German] [ACD/IUPAC Name]
(3aR,12cS)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine [ACD/IUPAC Name]
(3aR,12cS)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phénanthridine [French] [ACD/IUPAC Name]
1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine, 2,3,3a,4,5,7,12b,12c-octahydro-, (3aR,12cS)- [ACD/Index Name]
(±)-γ-Lycorane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 141.7±13.5 °C
Index of Refraction: 1.648
Molar Refractivity: 72.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.66
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 31.15
ACD/KOC (pH 7.4): 226.60
Polar Surface Area: 22 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 198.4±5.0 cm3

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