ChemSpider 2D Image | (2S,3R,4S,4aR,11bS)-2,3,4,7-Tetrahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one | C14H15NO7

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

  • Molecular FormulaC14H15NO7
  • Average mass309.271 Da
  • Monoisotopic mass309.084839 Da
  • ChemSpider ID20017238

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,4aR,11bS)-2,3,4,7-Tetrahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-on [German] [ACD/IUPAC Name]
(2S,3R,4S,4aR,11bS)-2,3,4,7-Tetrahydroxy-1,3,4,4a,5,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-6(2H)-one [ACD/IUPAC Name]
(2S,3R,4S,4aR,11bS)-2,3,4,7-Tétrahydroxy-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-2,3,4,7-tetrahydroxy-, (2S,3R,4S,4aR,11bS)- [ACD/Index Name]
40042-04-4 [RN]
cis-dihydronarciclasine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463048/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.85
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.95
Polar Surface Area: 128 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 91.3±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement