ChemSpider 2D Image | (3S,3'R,5R,6'R,9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene-3,3'-diol | C40H56O3

(3S,3'R,5R,6'R,9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID24607923

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,3'R,5R,6'R,9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'R,5R,6'R,9cis)-4',5'-Didéhydro-5,5',6',8-tétrahydro-5,8-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'R,5R,6'R,9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3'-diol, 4,5-didehydro-5',8'-epoxy-5,5',6,8'-tetrahydro-, (3R,3'S,5'R,6R,9'cis)- [ACD/Index Name]
(3S,5R,8RS,3'R,6'R)-5,8-Epoxy-5,8-dihydro-β,ε-carotene-3,3'-diol
Flavoxanthin [Wiki]
Lutein 5,8-epoxide

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

Density: 1.0±0.0 g/cm3
Boiling Point: 706.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 118.2±0.0 kJ/mol
Flash Point: 381.3±0.0 °C
Index of Refraction: 1.569
Molar Refractivity: 183.6±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.20
ACD/LogD (pH 5.5): 10.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8424484.00
ACD/LogD (pH 7.4): 10.20
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8424484.00
Polar Surface Area: 50 Å2
Polarizability: 72.8±0.0 10-24cm3
Surface Tension: 42.8±0.0 dyne/cm
Molar Volume: 560.3±0.0 cm3

Click to predict properties on the Chemicalize site


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