ChemSpider 2D Image | (1R,2S,3R,4S,4aR,11bR)-1,2,3,4,7-Pentahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one | C14H15NO8

(1R,2S,3R,4S,4aR,11bR)-1,2,3,4,7-Pentahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one

  • Molecular FormulaC14H15NO8
  • Average mass325.271 Da
  • Monoisotopic mass325.079773 Da
  • ChemSpider ID28518214

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4S,4aR,11bR)-1,2,3,4,7-Pentahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-on [German] [ACD/IUPAC Name]
(1R,2S,3R,4S,4aR,11bR)-1,2,3,4,7-Pentahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one [ACD/IUPAC Name]
(1R,2S,3R,4S,4aR,11bR)-1,2,3,4,7-Pentahydroxy-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-1,2,3,4,7-pentahydroxy-, (1R,2S,3R,4S,4aR,11bR)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 661.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.752
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.68
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.42
Polar Surface Area: 149 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 108.5±3.0 dyne/cm
Molar Volume: 178.3±3.0 cm3

Click to predict properties on the Chemicalize site


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