ChemSpider 2D Image | (3S,5R,6S)-3',4',7',8'-Tetradehydro-5,6-dihydro-3,6-epoxy-beta,beta-caroten-4-one | C40H50O2

(3S,5R,6S)-3',4',7',8'-Tetradehydro-5,6-dihydro-3,6-epoxy-β,β-caroten-4-one

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID59700117

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,5R,6S)-3',4',7',8'-Tetradehydro-5,6-dihydro-3,6-epoxy-β,β-caroten-4-one [ACD/IUPAC Name]
(3S,5R,6S)-3',4',7',8'-Tétradéhydro-5,6-dihydro-3,6-époxy-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(3S,5R,6S)-3',4',7',8'-Tetradehydro-5,6-dihydro-3,6-epoxy-β,β-carotin-4-on [German] [ACD/IUPAC Name]
β,β-Caroten-4-one, 3',4',7',8'-tetradehydro-3,6-epoxy-5,6-dihydro-, (3S,5R,6S)- [ACD/Index Name]
(3S,5R,6S)-3,6-Epoxy-3',4',7',8'-tetradehydro-5,6-dihydro-β,β-caroten-4-one
Eutreptiellanone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 681.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 218.6±23.7 °C
Index of Refraction: 1.570
Molar Refractivity: 178.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.56
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3594932.75
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3594932.75
Polar Surface Area: 26 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 544.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement