ChemSpider 2D Image | Preprasinoxanthin | C40H56O4

Preprasinoxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID10365684
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3S,3'R,5R,6S,6'R)-3,3'-Dihydroxy-4',5'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-caroten-8-one [ACD/IUPAC Name]
(3S,3'R,5R,6S,6'R)-3,3'-Dihydroxy-4',5'-didéhydro-5,5',6,6',7,8-hexahydro-5,6-époxy-β,β-carotén-8-one [French] [ACD/IUPAC Name]
(3S,3'R,5R,6S,6'R)-3,3'-Dihydroxy-4',5'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-β,β-carotin-8-on [German] [ACD/IUPAC Name]
Preprasinoxanthin
β,β-Caroten-8-one, 4',5'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,3'-dihydroxy-, (3S,3'R,5R,6S,6'R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 728.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.4±6.0 kJ/mol
Flash Point: 215.7±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 187.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.85
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 612143.63
ACD/KOC (pH 5.5): 482836.66
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 612143.63
ACD/KOC (pH 7.4): 482836.66
Polar Surface Area: 70 Å2
Polarizability: 74.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 571.5±3.0 cm3

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