ChemSpider 2D Image | (3S,3'R,6R)-4,5-Didehydro-5,6-dihydro-beta,beta-carotene-3,3',6-triol | C40H56O3

(3S,3'R,6R)-4,5-Didehydro-5,6-dihydro-β,β-carotene-3,3',6-triol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID8968750

  • 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,3'R,6R)-4,5-Didehydro-5,6-dihydro-β,β-carotene-3,3',6-triol [ACD/IUPAC Name]
(3S,3'R,6R)-4,5-Didéhydro-5,6-dihydro-β,β-carotène-3,3',6-triol [French] [ACD/IUPAC Name]
(3S,3'R,6R)-4,5-Didehydro-5,6-dihydro-β,β-carotin-3,3',6-triol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3',6-triol, 4,5-didehydro-5,6-dihydro-, (3S,3'R,6R)- [ACD/Index Name]
(3R,3'S,6'R)-β,ε-Carotene-3,3',6'-triol
Deepoxysalmoxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 729.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.5±6.0 kJ/mol
Flash Point: 280.2±27.5 °C
Index of Refraction: 1.594
Molar Refractivity: 190.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.68
ACD/LogD (pH 5.5): 9.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4253767.00
ACD/LogD (pH 7.4): 9.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4253762.00
Polar Surface Area: 61 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 561.5±3.0 cm3

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