ChemSpider 2D Image | (1S,2R,3aR,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-diyl diacetate | C20H23NO6

(1S,2R,3aR,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-diyl diacetate

  • Molecular FormulaC20H23NO6
  • Average mass373.400 Da
  • Monoisotopic mass373.152527 Da
  • ChemSpider ID30791100

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3aR,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-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2R,3aR,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-diyl diacetate [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-, diacetate (ester), (1S,2R,3aR,12bS,12cR)- [ACD/Index Name]
Diacétate de (1S,2R,3aR,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-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.5±28.7 °C
Index of Refraction: 1.615
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 7.06
ACD/KOC (pH 5.5): 80.46
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.03
ACD/KOC (pH 7.4): 536.32
Polar Surface Area: 74 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 270.4±5.0 cm3

Click to predict properties on the Chemicalize site


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