ChemSpider 2D Image | (4R,5S,6R,14aR,14bR)-6-Hydroxy-4,6-dimethyl-3-methylene-3,4,9,11,13,14,14a,14b-octahydro-2H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-5,2'-oxirane]-2,7(6H)-dione | C18H23NO6

(4R,5S,6R,14aR,14bR)-6-Hydroxy-4,6-dimethyl-3-methylene-3,4,9,11,13,14,14a,14b-octahydro-2H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-5,2'-oxirane]-2,7(6H)-dione

  • Molecular FormulaC18H23NO6
  • Average mass349.378 Da
  • Monoisotopic mass349.152527 Da
  • ChemSpider ID114544983

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5S,6R,14aR,14bR)-6-Hydroxy-4,6-dimethyl-3-methylene-3,4,9,11,13,14,14a,14b-octahydro-2H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-5,2'-oxirane]-2,7(6H)-dione [ACD/IUPAC Name]
Spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-5(2H),2'-oxirane]-2,7(6H)-dione, 3,4,9,11,13,14,14a,14b-octahydro-6-hydroxy-4,6-dimethyl-3-methylene-, (4R,5S,6R,14aR,14bR)- [ACD/Index 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: 611.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.48
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 81.54
Polar Surface Area: 89 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement