ChemSpider 2D Image | adonixanthin | C40H54O3

adonixanthin

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID17220868
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,3'R)-3,3'-Dihydroxy-β,β-caroten-4-one [ACD/IUPAC Name]
(3S,3'R)-3,3'-Dihydroxy-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(3S,3'R)-3,3'-Dihydroxy-β,β-carotin-4-on [German] [ACD/IUPAC Name]
4418-73-9 [RN]
adonixanthin
Doradexanthin
β,β-Caroten-4-one, 3,3'-dihydroxy-, (3S,3'R)- [ACD/Index Name]
4-Ketozeaxanthin
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:80217

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

PSZ3Q7662U [DBID]
UNII:PSZ3Q7662U [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 742.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.5±6.0 kJ/mol
Flash Point: 416.6±29.4 °C
Index of Refraction: 1.590
Molar Refractivity: 189.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.00
ACD/LogD (pH 5.5): 9.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2428175.75
ACD/LogD (pH 7.4): 9.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2428162.50
Polar Surface Area: 58 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 560.6±3.0 cm3

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