ChemSpider 2D Image | 19'-hexanoyloxyfucoxanthin | C48H68O8

19'-hexanoyloxyfucoxanthin

  • Molecular FormulaC48H68O8
  • Average mass773.049 Da
  • Monoisotopic mass772.491394 Da
  • ChemSpider ID4947086

  • 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)-3-Acetoxy-3',5-dihydroxy-8'-oxo-6,7-didehydro-5,5',6,6',7',8'-hexahydro-5',6'-epoxy-β,β-caroten-19-yl hexanoate [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6'S)-3-Acetoxy-3',5-dihydroxy-8'-oxo-6,7-didehydro-5,5',6,6',7',8'-hexahydro-5',6'-epoxy-β,β-carotin-19-yl-hexanoat [German] [ACD/IUPAC Name]
19'-hexanoyloxyfucoxanthin
Hexanoate de (3S,3'S,5R,5'R,6'S)-3-acétoxy-3',5-dihydroxy-8'-oxo-6,7-didéhydro-5,5',6,6',7',8'-hexahydro-5',6'-époxy-β,β-carotén-19-yle [French] [ACD/IUPAC Name]
Hexanoic acid, (3S,3'S,5R,5'R,6'S)-3-(acetyloxy)-6,7-didehydro-5',6'-epoxy-5,5',6,6',7',8'-hexahydro-3',5-dihydroxy-8'-oxo-β,β-caroten-19-yl ester [ACD/Index Name]
60147-85-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 838.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.7±6.0 kJ/mol
Flash Point: 235.8±27.8 °C
Index of Refraction: 1.553
Molar Refractivity: 225.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1502439.25
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1502439.25
Polar Surface Area: 123 Å2
Polarizability: 89.2±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 703.0±5.0 cm3

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