ChemSpider 2D Image | (5R,6R)-1,2,5,6-Tetrahydro-2,6-cyclo-psi,psi-carotene-1,5-diol | C40H58O2

(5R,6R)-1,2,5,6-Tetrahydro-2,6-cyclo-ψ,ψ-carotene-1,5-diol

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID9321323

  • 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

(5R,6R)-1,2,5,6-Tetrahydro-2,6-cyclo-ψ,ψ-carotene-1,5-diol [ACD/IUPAC Name]
(5R,6R)-1,2,5,6-Tétrahydro-2,6-cyclo-ψ,ψ-carotène-1,5-diol [French] [ACD/IUPAC Name]
(5R,6R)-1,2,5,6-Tetrahydro-2,6-cyclo-ψ,ψ-carotin-1,5-diol [German] [ACD/IUPAC Name]
2,6-Cyclo-ψ,ψ-carotene-1,5-diol, 1,2,5,6-tetrahydro-, (5R,6R)- [ACD/Index Name]
(2R,5R,6R)-2,6-cyclolycopene-1,5-diol
(2R,5R,6R)-2,6-cyclolycopene-ψ,ψ-carotene-1,5-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 686.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 259.0±22.8 °C
Index of Refraction: 1.562
Molar Refractivity: 189.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.61
ACD/LogD (pH 5.5): 10.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 584.4±3.0 cm3

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