ChemSpider 2D Image | (1S,2S,3aS,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol | C16H19NO4

(1S,2S,3aS,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID24631164
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,2S,3aS,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1,2-diol [German] [ACD/IUPAC Name]
(1S,2S,3aS,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol [ACD/IUPAC Name]
(1S,2S,3aS,12bS,12cR)-2,3,3a,4,5,7,12b,12c-Octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phénanthridine-1,2-diol [French] [ACD/IUPAC Name]
1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,3,3a,4,5,7,12b,12c-octahydro-, (1S,2S,3aS,12bS,12cR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 460.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.3±28.7 °C
Index of Refraction: 1.701
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 50.62
Polar Surface Area: 62 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 194.4±5.0 cm3

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