ChemSpider 2D Image | (2S,3S,4S,4aR,11bR)-2,3,4-Trihydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one | C14H15NO6

(2S,3S,4S,4aR,11bR)-2,3,4-Trihydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one

  • Molecular FormulaC14H15NO6
  • Average mass293.272 Da
  • Monoisotopic mass293.089935 Da
  • ChemSpider ID58914509

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3S,4S,4aR,11bR)-2,3,4-Trihydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-on [German] [ACD/IUPAC Name]
(2S,3S,4S,4aR,11bR)-2,3,4-Trihydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one [ACD/IUPAC Name]
(2S,3S,4S,4aR,11bR)-2,3,4-Trihydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phénanthridin-6(2H)-one [French] [ACD/IUPAC Name]
[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 1,3,4,4a,5,11b-hexahydro-2,3,4-trihydroxy-, (2S,3S,4S,4aR,11bR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 314.4±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.86
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.86
Polar Surface Area: 108 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 182.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement