ChemSpider 2D Image | (3R,6'R)-4',5',7,8-Tetradehydro-5',6'-dihydro-beta,beta-caroten-3-ol | C40H54O

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

  • Molecular FormulaC40H54O
  • Average mass550.856 Da
  • Monoisotopic mass550.417480 Da
  • ChemSpider ID59700186

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6'R)-4',5',7,8-Tetradehydro-5',6'-dihydro-β,β-caroten-3-ol [ACD/IUPAC Name]
(3R,6'R)-4',5',7,8-Tétradéhydro-5',6'-dihydro-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,6'R)-4',5',7,8-Tetradehydro-5',6'-dihydro-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
β,β-Caroten-3-ol, 4',5',7,8-tetradehydro-5',6'-dihydro-, (3R,6'R)- [ACD/Index Name]
(3R,6'R)-7,8-Didehydro-β,ε-caroten-3-ol
21284-10-6 [RN]
Crocoxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 669.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 262.0±24.5 °C
Index of Refraction: 1.560
Molar Refractivity: 180.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.79
ACD/LogD (pH 5.5): 11.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 557.5±5.0 cm3

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