ChemSpider 2D Image | (6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-beta,psi-carotene | C40H58

(6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-carotene

  • Molecular FormulaC40H58
  • Average mass538.888 Da
  • Monoisotopic mass538.453857 Da
  • ChemSpider ID4945802

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-carotene [ACD/IUPAC Name]
(6R)-4,5-Didéhydro-5,6,7',8'-tétrahydro-β,ψ-carotène [French] [ACD/IUPAC Name]
(6R)-4,5-Didehydro-5,6,7',8'-tetrahydro-β,ψ-carotin [German] [ACD/IUPAC Name]
50657-19-7 [RN]
β,ψ-Carotene, 4,5-didehydro-5,6,7',8'-tetrahydro-, (6R)- [ACD/Index Name]
&α;-zeacarotene
(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,19E)-3,7,12,16,20,24-HEXAMETHYLPENTACOSA-1,3,5,7,9,11,13,15,19,23-DECAEN-1-YL]-1,5,5-TRIMETHYLCYCLOHEX-1-ENE
514-89-6 [RN]
Zeacarotene
α-Zeacarotene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 638.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 90.8±0.8 kJ/mol
Flash Point: 339.2±26.3 °C
Index of Refraction: 1.538
Molar Refractivity: 186.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 15.68
ACD/LogD (pH 5.5): 13.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 595.6±3.0 cm3

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