Found 3 results

Search term: MFDUGTOOXGORRX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyl-2,4,6,8,10,12-tridecahexaenal | C25H34O3

(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyl-2,4,6,8,10,12-tridecahexaenal

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID30785522

  • 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

(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-Dihydroxy-2,6,6-trimethylcyclohexyliden]-2,7,11-trimethyl-2,4,6,8,10,12-tridecahexaenal [German] [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyl-2,4,6,8,10,12-tridecahexaenal [ACD/IUPAC Name]
(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-Dihydroxy-2,6,6-triméthylcyclohexylidène]-2,7,11-triméthyl-2,4,6,8,10,12-tridécahexaénal [French] [ACD/IUPAC Name]
2,4,6,8,10,12-Tridecahexaenal, 13-[(1R,2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyl-, (2E,4E,6E,8E,10E,12R)- [ACD/Index Name]
(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al
C25-allenic-apo-aldehyde

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

Density: 1.0±0.1 g/cm3
Boiling Point: 571.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 313.7±26.6 °C
Index of Refraction: 1.546
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1091.32
ACD/KOC (pH 5.5): 5201.94
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1091.32
ACD/KOC (pH 7.4): 5201.94
Polar Surface Area: 58 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 35.4±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

Click to predict properties on the Chemicalize site


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