ChemSpider 2D Image | 4',5'-Didehydro-5,5',6,6'-tetrahydro-5,6-epoxy-beta,beta-carotene-3,3'-diol | C40H56O3

4',5'-Didehydro-5,5',6,6'-tetrahydro-5,6-epoxy-β,β-carotene-3,3'-diol

  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID4519595

  • Double-bond stereo - Double-bond stereo

More details:

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

4',5'-Didehydro-5,5',6,6'-tetrahydro-5,6-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
4',5'-Didéhydro-5,5',6,6'-tétrahydro-5,6-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
4',5'-Didehydro-5,5',6,6'-tetrahydro-5,6-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-Hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
β,β-Carotene-3,3'-diol, 4,5-didehydro-5',6'-epoxy-5,5',6,6'-tetrahydro- [ACD/Index Name]
β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S,6'R)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2054634.63
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2054634.63
Polar Surface Area: 53 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 556.2±3.0 cm3

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