ChemSpider 2D Image | (2Z)-1-[(2R,4aS,5aS,8R,9aR,9bR)-2,8-Diphenylhexahydro-5H-bis[1,3]dioxino[5,4-b:4',5'-d]pyrrol-5-yl]-3-phenyl-2-propen-1-one | C29H27NO5

(2Z)-1-[(2R,4aS,5aS,8R,9aR,9bR)-2,8-Diphenylhexahydro-5H-bis[1,3]dioxino[5,4-b:4',5'-d]pyrrol-5-yl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC29H27NO5
  • Average mass469.528 Da
  • Monoisotopic mass469.188934 Da
  • ChemSpider ID30655004

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2Z)-1-[(2R,4aS,5aS,8R,9aR,9bR)-2,8-Diphenylhexahydro-5H-bis[1,3]dioxino[5,4-b:4',5'-d]pyrrol-5-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2Z)-1-[(2R,4aS,5aS,8R,9aR,9bR)-2,8-Diphenylhexahydro-5H-bis[1,3]dioxino[5,4-b:4',5'-d]pyrrol-5-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2Z)-1-[(2R,4aS,5aS,8R,9aR,9bR)-2,8-Diphénylhexahydro-5H-bis[1,3]dioxino[5,4-b:4',5'-d]pyrrol-5-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[(2R,4aS,5aS,8R,9aR,9bR)-hexahydro-2,8-diphenyl-5H-1,3-dioxino[5,4-b][1,3]dioxino[4,5-d]pyrrol-5-yl]-3-phenyl-, (2Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.0±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 131.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5500.69
ACD/KOC (pH 5.5): 16557.04
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5500.69
ACD/KOC (pH 7.4): 16557.04
Polar Surface Area: 57 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 376.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement