ChemSpider 2D Image | (7R,9Z)-18-[(4-Hydroxy-3-methoxybenzyl)amino]-18-oxo-9-octadecen-7-yl phenylacetate | C34H49NO5

(7R,9Z)-18-[(4-Hydroxy-3-methoxybenzyl)amino]-18-oxo-9-octadecen-7-yl phenylacetate

  • Molecular FormulaC34H49NO5
  • Average mass551.757 Da
  • Monoisotopic mass551.361084 Da
  • ChemSpider ID74098843

  • 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

(7R,9Z)-18-[(4-Hydroxy-3-methoxybenzyl)amino]-18-oxo-9-octadecen-7-yl phenylacetate [ACD/IUPAC Name]
(7R,9Z)-18-[(4-Hydroxy-3-methoxybenzyl)amino]-18-oxo-9-octadecen-7-yl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (1R,3Z)-1-hexyl-12-[[(4-hydroxy-3-methoxyphenyl)methyl]amino]-12-oxo-3-dodecen-1-yl ester [ACD/Index Name]
Phénylacétate de (7R,9Z)-18-[(4-hydroxy-3-méthoxybenzyl)amino]-18-oxo-9-octadécén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 8.29
ACD/LogD (pH 5.5): 8.13
ACD/BCF (pH 5.5): 893909.31
ACD/KOC (pH 5.5): 633137.38
ACD/LogD (pH 7.4): 8.13
ACD/BCF (pH 7.4): 890014.50
ACD/KOC (pH 7.4): 630378.75
Polar Surface Area: 85 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 522.4±3.0 cm3

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