ChemSpider 2D Image | sapotexanthin | C40H56O

sapotexanthin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID28288575

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5'R)-β,κ-Caroten-6'-one [ACD/IUPAC Name]
(5'R)-β,κ-Carotén-6'-one [French] [ACD/IUPAC Name]
(5'R)-β,κ-Carotin-6'-on [German] [ACD/IUPAC Name]
sapotexanthin
β,κ-Caroten-6'-one, (5'R)- [ACD/Index Name]
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohexen-1-yl)-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
(all-E,5'R)-β,κ-caroten-6'-one
(all-E,5'R)-β,κ-carotene-6'-one

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

Density: 0.9±0.1 g/cm3
Boiling Point: 670.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 273.5±17.8 °C
Index of Refraction: 1.545
Molar Refractivity: 184.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 13.49
ACD/LogD (pH 5.5): 11.92
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 17 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 583.5±3.0 cm3

Click to predict properties on the Chemicalize site


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