ChemSpider 2D Image | Fucoxanthin acetate | C44H60O7

Fucoxanthin acetate

  • Molecular FormulaC44H60O7
  • Average mass700.943 Da
  • Monoisotopic mass700.433899 Da
  • ChemSpider ID24607918

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3'S,5R,5'R,6'S)-5-Hydroxy-8'-oxo-6,7-didehydro-5,5',6,6',7',8'-hexahydro-5',6'-epoxy-β,β-carotene-3,3'-diyl diacetate [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6'S)-5-Hydroxy-8'-oxo-6,7-didehydro-5,5',6,6',7',8'-hexahydro-5',6'-epoxy-β,β-carotin-3,3'-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (3S,3'S,5R,5'R,6'S)-5-hydroxy-8'-oxo-6,7-didéhydro-5,5',6,6',7',8'-hexahydro-5',6'-époxy-β,β-carotène-3,3'-diyle [French] [ACD/IUPAC Name]
Fucoxanthin acetate
β,β-Caroten-8-one, 3,3'-bis(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-5'-hydroxy-, (3S,3'S,5R,5'R,6S)- [ACD/Index Name]
Fcoxanthin acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 767.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 219.6±26.4 °C
Index of Refraction: 1.552
Molar Refractivity: 205.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 7.94
ACD/BCF (pH 5.5): 639735.88
ACD/KOC (pH 5.5): 498317.28
ACD/LogD (pH 7.4): 7.94
ACD/BCF (pH 7.4): 639735.88
ACD/KOC (pH 7.4): 498317.28
Polar Surface Area: 102 Å2
Polarizability: 81.3±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 641.9±5.0 cm3

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