ChemSpider 2D Image | (6S)-3,4-didehydro-r,x-carotene | C40H50

(6S)-3,4-didehydro-r,x-carotene

  • Molecular FormulaC40H50
  • Average mass530.825 Da
  • Monoisotopic mass530.391235 Da
  • ChemSpider ID10471557

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-3,4,5,18-Tetradehydro-5,6-dihydro-β,chi-carotene [ACD/IUPAC Name]
(6S)-3,4,5,18-Tétradéhydro-5,6-dihydro-β,chi-carotène [French] [ACD/IUPAC Name]
(6S)-3,4,5,18-Tetradehydro-5,6-dihydro-β,chi-carotin [German] [ACD/IUPAC Name]
(6S)-3,4-didehydro-r,x-carotene
β,chi-Carotene, 3,4,5,18-tetradehydro-5,6-dihydro-, (6S)- [ACD/Index Name]
(6S)-3,4-Didehydro-γ,chi-carotene
3,4-Dehydro-γ,chi-carotene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 667.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 94.6±0.8 kJ/mol
Flash Point: 374.3±20.1 °C
Index of Refraction: 1.567
Molar Refractivity: 179.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.79
ACD/LogD (pH 5.5): 11.77
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.77
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 550.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement