ChemSpider 2D Image | (3R,3'R,5S,6R)-5,6-Dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | C40H56O3

(3R,3'R,5S,6R)-5,6-Dihydro-5,6-epoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID24534263

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'R,5S,6R)-5,6-Dihydro-5,6-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'R,5S,6R)-5,6-Dihydro-5,6-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'R,5S,6R)-5,6-Dihydro-5,6-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3R,3'R,5S,6R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.29
ACD/LogD (pH 5.5): 9.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3471310.75
ACD/LogD (pH 7.4): 9.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3471310.75
Polar Surface Area: 53 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 554.1±3.0 cm3

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