ChemSpider 2D Image | (5S,6R)-beta-carotene 5,6-epoxide | C40H56O

(5S,6R)-β-carotene 5,6-epoxide

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID7827797

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,6R)-5,6-Dihydro-5,6-epoxy-β,β-carotene [ACD/IUPAC Name]
(5S,6R)-5,6-Dihydro-5,6-époxy-β,β-carotène [French] [ACD/IUPAC Name]
(5S,6R)-5,6-Dihydro-5,6-epoxy-β,β-carotin [German] [ACD/IUPAC Name]
(5S,6R)-β-carotene 5,6-epoxide
β,β-Carotene, 5,6-epoxy-5,6-dihydro-, (5S,6R)- [ACD/Index Name]
(5S,6R)-5,6-epoxy-5,6-dihydro-β,β-carotene
1443891 [Beilstein]
5S,6R-epoxy-5,6-dihydro-β,β-carotene

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

CHEBI:35309 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 649.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 317.4±20.9 °C
Index of Refraction: 1.578
Molar Refractivity: 185.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.40
ACD/LogD (pH 5.5): 11.98
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.98
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 13 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 560.2±3.0 cm3

Click to predict properties on the Chemicalize site


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