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Search term: 81366992 (Found by CSID)
ChemSpider 2D Image | youssoufene A1 | C36H40O4

youssoufene A1

  • Molecular FormulaC36H40O4
  • Average mass536.700 Da
  • Monoisotopic mass536.292664 Da
  • ChemSpider ID81366992

  • 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)-3-{(1S,4E,5R)-4-(2-Carboxyethyliden)-5-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]-2-cyclohexen-1-yl}-3-{2-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]phenyl}propansäure [German] [ACD/IUPAC Name]
(3S)-3-{(1S,4E,5R)-4-(2-Carboxyethylidene)-5-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]-2-cyclohexen-1-yl}-3-{2-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]phenyl}propanoic acid [ACD/IUPAC Name]
Acide (3S)-3-{(1S,4E,5R)-4-(2-carboxyéthylidène)-5-[(1Z,3E,5Z,7E)-1,3,5,7-nonatétraén-1-yl]-2-cyclohexén-1-yl}-3-{2-[(1Z,3E,5Z,7E)-1,3,5,7-nonatétraén-1-yl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[(1S,4E,5R)-4-(2-carboxyethylidene)-5-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]-2-cyclohexen-1-yl]-2-[(1Z,3E,5Z,7E)-1,3,5,7-nonatetraen-1-yl]-, (βS)- [ACD/Index Name]
youssoufene A1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 420.9±29.4 °C
Index of Refraction: 1.650
Molar Refractivity: 171.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 1747.38
ACD/KOC (pH 5.5): 1656.85
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 6.13
ACD/KOC (pH 7.4): 5.81
Polar Surface Area: 75 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 471.4±3.0 cm3

Click to predict properties on the Chemicalize site


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