ChemSpider 2D Image | Capsanthin 5,6-epoxide | C40H56O4

Capsanthin 5,6-epoxide

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID9214467
  • 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'S,5R,5'R,6S)-3,3'-Dihydroxy-5,6-dihydro-5,6-epoxy-β,κ-caroten-6'-one [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S)-3,3'-Dihydroxy-5,6-dihydro-5,6-époxy-β,κ-carotén-6'-one [French] [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S)-3,3'-Dihydroxy-5,6-dihydro-5,6-epoxy-β,κ-carotin-6'-on [German] [ACD/IUPAC Name]
Capsanthin 5,6-epoxide
β,κ-Caroten-6'-one, 5,6-epoxy-5,6-dihydro-3,3'-dihydroxy-, (3S,3'S,5R,5'R,6S)- [ACD/Index Name]
(5R,6S)-5,6-epoxi-capsanthin
29486-21-3 [RN]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91165

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

Density: 1.1±0.1 g/cm3
Boiling Point: 723.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 214.0±26.4 °C
Index of Refraction: 1.575
Molar Refractivity: 187.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 413460.13
ACD/KOC (pH 5.5): 364599.22
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 413460.13
ACD/KOC (pH 7.4): 364599.22
Polar Surface Area: 70 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 567.5±3.0 cm3

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