ChemSpider 2D Image | 2,3'-Dihydroxy-beta,beta-carotene-4,4'-dione | C40H52O4

2,3'-Dihydroxy-β,β-carotene-4,4'-dione

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID17214276
  • Double-bond stereo - Double-bond stereo


More details:






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

2,3'-Dihydroxy-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
2,3'-Dihydroxy-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
2,3'-Dihydroxy-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
β,β-Carotene-4,4'-dione, 2,3'-dihydroxy- [ACD/Index Name]
2,3'-Dihydroxycanthaxanthin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 775.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.6±6.0 kJ/mol
Flash Point: 436.5±29.4 °C
Index of Refraction: 1.595
Molar Refractivity: 189.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138859.84
ACD/KOC (pH 5.5): 166968.23
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 138858.94
ACD/KOC (pH 7.4): 166967.13
Polar Surface Area: 75 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 557.1±3.0 cm3

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