ChemSpider 2D Image | Flavoxanthin | C40H56O3

Flavoxanthin

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID4444650
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:



Featured data source



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

(3S,3'R,5R,6'R,8R)-5,8-Epoxy-5,8-dihydro-b,e-carotene-3,3'-diol
(3S,3'R,5R,6'R,8R)-5,8-Epoxy-5,8-dihydro-β,ε-carotene-3,3'-diol
(3S,3'R,5R,6'R,8R,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,8R,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,8R,9cis)-4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
512-29-8 [RN]
Flavoxanthin [Wiki]
S1D2WO17XX
β,β-Carotene-3,3'-diol, 4,5-didehydro-5',8'-epoxy-5,5',6,8'-tetrahydro-, (3R,3'S,5'R,6R,8'R,9'cis)- [ACD/Index Name]
β,ε-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-, (3S,3'R,5R,6'R,8R)-
More...

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

C08594 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.2±6.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 183.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.20
ACD/LogD (pH 5.5): 9.33
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2830584.75
ACD/LogD (pH 7.4): 9.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2830584.75
Polar Surface Area: 50 Å2
Polarizability: 72.8±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 560.3±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form