ChemSpider 2D Image | siculinine | C17H19NO5

siculinine

  • Molecular FormulaC17H19NO5
  • Average mass317.336 Da
  • Monoisotopic mass317.126312 Da
  • ChemSpider ID58827151

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,3S,12bS,12cR)-2-Methoxy-2,3,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1,3-diol [German] [ACD/IUPAC Name]
(1R,2S,3S,12bS,12cR)-2-Methoxy-2,3,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,3-diol [ACD/IUPAC Name]
(1R,2S,3S,12bS,12cR)-2-Méthoxy-2,3,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phénanthridine-1,3-diol [French] [ACD/IUPAC Name]
1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,3-diol, 2,3,5,7,12b,12c-hexahydro-2-methoxy-, (1R,2S,3S,12bS,12cR)- [ACD/Index Name]
siculinine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.701
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 54.89
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 74.84
Polar Surface Area: 71 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 209.9±5.0 cm3

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