ChemSpider 2D Image | Caloxanthin | C40H56O3

Caloxanthin

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID17220925

  • 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

(2R,3R,3'R)-β,β-Carotene-2,3,3'-triol [ACD/IUPAC Name]
(2R,3R,3'R)-β,β-Carotène-2,3,3'-triol [French] [ACD/IUPAC Name]
(2R,3R,3'R)-β,β-Carotin-2,3,3'-triol [German] [ACD/IUPAC Name]
Caloxanthin
β,β-Carotene-2,3,3'-triol, (2R,3R,3'R)- [ACD/Index Name]
  • Miscellaneous

    • Compound Source:

      Chlamydomonas reinhardtii PlantCyc CPD-15032
      nostoxanthin biosynthesis PlantCyc CPD-15032
      zeaxanthin + 2 NADH + 2 H+ + 2 oxygen -> nostoxanthin + 2 NAD+ + 2 H2O PlantCyc CPD-15032

    • Bio Activity:

      caloxanthin + NADH + oxygen + H+ -> nostoxanthin + NAD+ + H2O PlantCyc CPD-15032
      zeaxanthin + NADH + oxygen + H+ -> caloxanthin + NAD+ + H2O PlantCyc CPD-15032

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

Density: 1.0±0.1 g/cm3
Boiling Point: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 279.2±27.5 °C
Index of Refraction: 1.595
Molar Refractivity: 190.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.80
ACD/LogD (pH 5.5): 9.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4970921.00
ACD/LogD (pH 7.4): 9.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4970921.00
Polar Surface Area: 61 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 561.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement