ChemSpider 2D Image | beta-Cryptoxathin-5,6-epoxide | C40H56O2

β-Cryptoxathin-5,6-epoxide

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID10400385

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,5R,6S)-5,6-Dihydro-5,6-epoxy-β,β-caroten-3-ol [ACD/IUPAC Name]
(3S,5R,6S)-5,6-Dihydro-5,6-époxy-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(3S,5R,6S)-5,6-Dihydro-5,6-epoxy-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-β,β-caroten-3-ol
(3S,5R,6S)-β-cryptoxanthin 5,6-epoxide
188116-19-0 [RN]
β,β-Caroten-3-ol, 5,6-epoxy-5,6-dihydro-, (3S,5R,6S)- [ACD/Index Name]
β-Cryptoxathin-5,6-epoxide
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-β,β-caroten-3-ol
(5R,6S)-5,6-epoxi-β-cryptoxanthin
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 680.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 288.2±24.4 °C
Index of Refraction: 1.588
Molar Refractivity: 187.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 12.13
ACD/LogD (pH 5.5): 10.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 33 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 557.2±3.0 cm3

Click to predict properties on the Chemicalize site


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