ChemSpider 2D Image | (3R,3'R)-beta,beta-Carotin-3,3'-diol | C40H56O2

(3R,3'R)-β,β-Carotin-3,3'-diol

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID103866978

  • 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,3'R)-β,β-Carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'R)-β,β-Carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'R)-β,β-Carotin-3,3'-diol [ACD/IUPAC Name]
(3R,3'R)-β,β-Carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, (3R,3'R)- [ACD/Index Name]
(1R,1'R)-4,4'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(3,5,5-trimethylcyclohex-3-enol)
144-68-3 [RN]
MFCD08435940 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 711.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 273.4±26.1 °C
Index of Refraction: 1.585
Molar Refractivity: 189.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.84
ACD/LogD (pH 5.5): 10.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 564.1±3.0 cm3

Click to predict properties on the Chemicalize site


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