ChemSpider 2D Image | phenylacetylrinvanil | C34H49NO4

phenylacetylrinvanil

  • Molecular FormulaC34H49NO4
  • Average mass535.757 Da
  • Monoisotopic mass535.366150 Da
  • ChemSpider ID34980937

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1Z,9Z,12R)-N-(4-Hydroxy-3-methoxybenzyl)-12-(phenylacetyl)-9-octadecenimidic acid [ACD/IUPAC Name]
(1Z,9Z,12R)-N-(4-Hydroxy-3-methoxybenzyl)-12-(phenylacetyl)-9-octadecenimidsäure [German] [ACD/IUPAC Name]
9-Octadecenimidic acid, N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-(2-phenylacetyl)-, (1Z,9Z,12R)- [ACD/Index Name]
Acide (1Z,9Z,12R)-N-(4-hydroxy-3-méthoxybenzyl)-12-(2-phénylacétyl)-9-octadécénimidique [French] [ACD/IUPAC Name]
phenylacetylrinvanil
(Z,12R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-(2-phenylacetyl)octadec-9-enamide
IDN5890
IDN5890|PhAR
PhAR

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

Density: 1.0±0.1 g/cm3
Boiling Point: 684.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.6±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 80387.86
ACD/KOC (pH 5.5): 54587.89
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 84577.47
ACD/KOC (pH 7.4): 57432.87
Polar Surface Area: 79 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 523.4±7.0 cm3

Click to predict properties on the Chemicalize site


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