ChemSpider 2D Image | Auroxanthin | C40H56O4

Auroxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID24607901

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3S,3'S,5R,5'R,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'S,5R,5'R,9cis,9'cis)-5,5',8,8'-Tétrahydro-5,8:5',8'-diépoxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'S,5R,5'R,9cis,9'cis)-5,5',8,8'-Tetrahydro-5,8:5',8'-diepoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
27785-15-5 [RN]
Auroxanthin
β,β-Carotene-3,3'-diol, 5,8:5',8'-diepoxy-5,5',8,8'-tetrahydro-, (3S,3'S,5R,5'R,9cis,9'cis)- [ACD/Index Name]
(3S,5R,8RS,3'S,5'R,8'RS)-5,8:5',8'-Diepoxy-5,8,5',8'-tetrahydro-β,β-carotene-3,3'-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.3±6.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.68
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1203977.50
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1203977.50
Polar Surface Area: 59 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 554.5±5.0 cm3

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