ChemSpider 2D Image | (3R,3'E)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-beta,psi-caroten-3-ol | C41H58O2

(3R,3'E)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-3-ol

  • Molecular FormulaC41H58O2
  • Average mass582.898 Da
  • Monoisotopic mass582.443665 Da
  • ChemSpider ID17220930

  • 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

(3R,3'E)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-3-ol [ACD/IUPAC Name]
(3R,3'E)-1'-Méthoxy-3',4'-didéhydro-1',2'-dihydro-β,ψ-carotén-3-ol [French] [ACD/IUPAC Name]
(3R,3'E)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-β,ψ-carotin-3-ol [German] [ACD/IUPAC Name]
β,ψ-Caroten-3-ol, 3',4'-didehydro-1',2'-dihydro-1'-methoxy-, (3R,3'E)- [ACD/Index Name]
(3R)-1'-Methoxy-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-3-ol
Bacteriorubuxanthin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 705.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 299.9±25.2 °C
Index of Refraction: 1.554
Molar Refractivity: 194.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 12.07
ACD/LogD (pH 5.5): 10.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 607.3±3.0 cm3

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