ChemSpider 2D Image | (2E,4E,7R,12R,13R)-13-Formyl-12,14-dihydroxy-3,5,7-trimethyl-2,4-tetradecadienoic acid | C18H30O5

(2E,4E,7R,12R,13R)-13-Formyl-12,14-dihydroxy-3,5,7-trimethyl-2,4-tetradecadienoic acid

  • Molecular FormulaC18H30O5
  • Average mass326.428 Da
  • Monoisotopic mass326.209320 Da
  • ChemSpider ID64873353

  • 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,7R,12R,13R)-13-Formyl-12,14-dihydroxy-3,5,7-trimethyl-2,4-tetradecadienoic acid [ACD/IUPAC Name]
(2E,4E,7R,12R,13R)-13-Formyl-12,14-dihydroxy-3,5,7-trimethyl-2,4-tetradecadiensäure [German] [ACD/IUPAC Name]
2,4-Tetradecadienoic acid, 13-formyl-12,14-dihydroxy-3,5,7-trimethyl-, (2E,4E,7R,12R,13R)- [ACD/Index Name]
Acide (2E,4E,7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-triméthyl-2,4-tétradécadiénoïque [French] [ACD/IUPAC Name]
(7r,12r,13r)-13-Formyl-12,14-Dihydroxy-3,5,7-Trimethyltetradeca-2,4-Dienoic Acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 297.3±26.6 °C
Index of Refraction: 1.510
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 17.31
ACD/KOC (pH 5.5): 176.66
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 95 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

Click to predict properties on the Chemicalize site


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