ChemSpider 2D Image | (6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2,2',3,3',4,4'-Hexadehydro-beta,beta-carotene-3,3'-diol | C40H50O2

(6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2,2',3,3',4,4'-Hexadehydro-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H50O2
  • Average mass562.824 Da
  • Monoisotopic mass562.381104 Da
  • ChemSpider ID95557173

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2,2',3,3',4,4'-Hexadehydro-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2,2',3,3',4,4'-Hexadéhydro-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)-2,2',3,3',4,4'-Hexadehydro-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 2,2',3,3',4,4'-hexadehydro-, (6E,6'E,8E,8'E,10E,10'E,12E,12'E,14E,14'E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 284.7±27.5 °C
Index of Refraction: 1.613
Molar Refractivity: 187.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 12.23
ACD/LogD (pH 5.5): 10.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 74.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 540.0±3.0 cm3

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