ChemSpider 2D Image | diadinoxanthin | C40H54O3

diadinoxanthin

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID16736328
  • Double-bond stereo - Double-bond stereo


More details:






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

18457-54-0 [RN]
5,6-Epoxy-7',8'-didehydro-5,6-dihydro-b,b-carotene-3,3-diol
7',8'-Didehydro-5,6-dihydro-5,6-epoxy-β,β-carotene-3,3-diol [ACD/IUPAC Name]
7',8'-Didéhydro-5,6-dihydro-5,6-époxy-β,β-carotène-3,3-diol [French] [ACD/IUPAC Name]
7',8'-Didehydro-5,6-dihydro-5,6-epoxy-β,β-carotin-3,3-diol [German] [ACD/IUPAC Name]
diadinoxanthin
β,β-Carotene-3,3-diol, 7',8'-didehydro-5,6-epoxy-5,6-dihydro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 704.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 380.1±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2908683.50
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2908677.25
Polar Surface Area: 53 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 548.7±5.0 cm3

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