ChemSpider 2D Image | (5bS,6R,12bR)-5b,6,7,12b,13,14-Hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol | C19H17NO5

(5bS,6R,12bR)-5b,6,7,12b,13,14-Hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol

  • Molecular FormulaC19H17NO5
  • Average mass339.342 Da
  • Monoisotopic mass339.110687 Da
  • ChemSpider ID28485800
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(5bS,6R,12bR)-5b,6,7,12b,13,14-Hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol [German] [ACD/IUPAC Name]
(5bS,6R,12bR)-5b,6,7,12b,13,14-Hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol [ACD/IUPAC Name]
(5bS,6R,12bR)-5b,6,7,12b,13,14-Hexahydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phénanthridin-6-ol [French] [ACD/IUPAC Name]
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-, (5bS,6R,12bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 523.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.5±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.55
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 12.75
ACD/KOC (pH 7.4): 192.77
Polar Surface Area: 69 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

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