ChemSpider 2D Image | Loroxanthin | C40H56O3

Loroxanthin

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID10380806

  • 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

(3R,3'R,6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-carotene-3,3',19-triol [ACD/IUPAC Name]
(3R,3'R,6'R)-4',5'-Didéhydro-5',6'-dihydro-β,β-carotène-3,3',19-triol [French] [ACD/IUPAC Name]
(3R,3'R,6'R)-4',5'-Didehydro-5',6'-dihydro-β,β-carotin-3,3',19-triol [German] [ACD/IUPAC Name]
Loroxanthin
β,β-Carotene-3,3',19-triol, 4',5'-didehydro-5',6'-dihydro-, (3R,3'R,6'R)- [ACD/Index Name]
(3R,3'R,6'R)-β,ε-Carotene-3,19,3'-triol
19-hydroxy-lutein
19-Hydroxylutein

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

Density: 1.0±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 283.6±27.5 °C
Index of Refraction: 1.592
Molar Refractivity: 190.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2827199.25
ACD/LogD (pH 7.4): 9.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2827199.25
Polar Surface Area: 61 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 563.6±3.0 cm3

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