ChemSpider 2D Image | (1S,2S,12bS,12cR)-2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol | C16H17NO4

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

  • Molecular FormulaC16H17NO4
  • Average mass287.310 Da
  • Monoisotopic mass287.115753 Da
  • ChemSpider ID114814375

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,12bS,12cR)-2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1,2-diol [German] [ACD/IUPAC Name]
(1S,2S,12bS,12cR)-2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol [ACD/IUPAC Name]
(1S,2S,12bS,12cR)-2,4,5,7,12b,12c-Hexahydro-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, 2,4,5,7,12b,12c-hexahydro-, (1S,2S,12bS,12cR)- [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: 477.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.5±28.7 °C
Index of Refraction: 1.733
Molar Refractivity: 74.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.57
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 75.66
Polar Surface Area: 62 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 79.2±5.0 dyne/cm
Molar Volume: 187.0±5.0 cm3

Click to predict properties on the Chemicalize site


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