ChemSpider 2D Image | Methyl (2E,4R,5R,6S,7E)-4,5,6-tris(benzyloxy)-9-hydroxy-2,7-nonadienoate | C31H34O6

Methyl (2E,4R,5R,6S,7E)-4,5,6-tris(benzyloxy)-9-hydroxy-2,7-nonadienoate

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID8895589

  • 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,4R,5R,6S,7E)-4,5,6-Tris(benzyloxy)-9-hydroxy-2,7-nonadiénoate de méthyle [French] [ACD/IUPAC Name]
2,7-Nonadienoic acid, 9-hydroxy-4,5,6-tris(phenylmethoxy)-, methyl ester, (2E,4R,5R,6S,7E)- [ACD/Index Name]
Methyl (2E,4R,5R,6S,7E)-4,5,6-tris(benzyloxy)-9-hydroxy-2,7-nonadienoate [ACD/IUPAC Name]
Methyl-(2E,4R,5R,6S,7E)-4,5,6-tris(benzyloxy)-9-hydroxy-2,7-nonadienoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 200.3±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 144.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21781.13
ACD/KOC (pH 5.5): 44338.79
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21781.13
ACD/KOC (pH 7.4): 44338.79
Polar Surface Area: 74 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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