ChemSpider 2D Image | ?-doradexanthin | C40H54O3

?-doradexanthin

  • Molecular FormulaC40H54O3
  • Average mass582.855 Da
  • Monoisotopic mass582.407288 Da
  • ChemSpider ID4945214
  • 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

(3S,3'S,6'R)-3,3'-Dihydroxy-4',5'-didehydro-5',6'-dihydro-β,β-caroten-4-one [ACD/IUPAC Name]
(3S,3'S,6'R)-3,3'-Dihydroxy-4',5'-didéhydro-5',6'-dihydro-β,β-carotén-4-one [French] [ACD/IUPAC Name]
(3S,3'S,6'R)-3,3'-Dihydroxy-4',5'-didehydro-5',6'-dihydro-β,β-carotin-4-on [German] [ACD/IUPAC Name]
?-doradexanthin
29125-77-7 [RN]
α-Doradexanthin
β,β-Caroten-4-one, 4',5'-didehydro-5',6'-dihydro-3,3'-dihydroxy-, (3S,3'S,6'R)- [ACD/Index Name]
β,ε-Caroten-4-one, 3,3'-dihydroxy-, (3S,3'S,6'R)-
(6S)-6-HYDROXY-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAEN-1-YL]-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE
α-DORADEXANTHIN

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

U3XF4U383L [DBID]
UNII:U3XF4U383L [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 410.9±29.4 °C
Index of Refraction: 1.588
Molar Refractivity: 189.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.94
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1338416.25
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1338408.88
Polar Surface Area: 58 Å2
Polarizability: 75.0±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 562.6±3.0 cm3

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