ChemSpider 2D Image | (2S,2'S)-Oscillol | C40H56O4

(2S,2'S)-Oscillol

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID30791963
  • 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

(2S,2'S)-Oscillol
(3E,3'E)-3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene-1,1',2,2'-tetrol [ACD/IUPAC Name]
(3E,3'E)-3,3',4,4'-Tétradéhydro-1,1',2,2'-tétrahydro-ψ,ψ-carotène-1,1',2,2'-tétrol [French] [ACD/IUPAC Name]
(3E,3'E)-3,3',4,4'-Tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotin-1,1',2,2'-tetrol [German] [ACD/IUPAC Name]
ψ,ψ-Carotene-1,1',2,2'-tetrol, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-, (3E,3'E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 787.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 302.6±26.1 °C
Index of Refraction: 1.562
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 198651.08
ACD/KOC (pH 5.5): 215749.14
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 198650.86
ACD/KOC (pH 7.4): 215748.91
Polar Surface Area: 81 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 595.5±3.0 cm3

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