ChemSpider 2D Image | salinixanthin | C61H92O9

salinixanthin

  • Molecular FormulaC61H92O9
  • Average mass969.378 Da
  • Monoisotopic mass968.674133 Da
  • ChemSpider ID25058006

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3'E)-2'-Hydroxy-4-oxo-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-yl 6-O-(13-methyltetradecanoyl)-α-L-idopyranoside [ACD/IUPAC Name]
(3'E)-2'-Hydroxy-4-oxo-3',4'-didehydro-1',2'-dihydro-β,ψ-carotin-1'-yl-6-O-(13-methyltetradecanoyl)-α-L-idopyranosid [German] [ACD/IUPAC Name]
6-O-(13-Méthyltetradecanoyl)-α-L-idopyranoside de (3'E)-2'-hydroxy-4-oxo-3',4'-didéhydro-1',2'-dihydro-β,ψ-carotén-1'-yle [French] [ACD/IUPAC Name]
salinixanthin
β,ψ-Caroten-4-one, 3',4'-didehydro-1',2'-dihydro-2'-hydroxy-1'-[[6-O-(13-methyl-1-oxotetradecyl)-α-L-idopyranosyl]oxy]-, (3'E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 997.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.9±6.0 kJ/mol
Flash Point: 263.6±27.8 °C
Index of Refraction: 1.554
Molar Refractivity: 289.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 17.45
ACD/LogD (pH 5.5): 13.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 143 Å2
Polarizability: 114.7±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 901.9±5.0 cm3

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