Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | (2S)-2-Hydroxy-3-[(9-phenyl-9H-xanthen-9-yl)oxy]propyl stearate | C40H54O5

(2S)-2-Hydroxy-3-[(9-phenyl-9H-xanthen-9-yl)oxy]propyl stearate

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID8850644

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-3-[(9-phenyl-9H-xanthen-9-yl)oxy]propyl stearate [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-[(9-phenyl-9H-xanthen-9-yl)oxy]propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2S)-2-hydroxy-3-[(9-phenyl-9H-xanthen-9-yl)oxy]propyl ester [ACD/Index Name]
Stéarate de (2S)-2-hydroxy-3-[(9-phényl-9H-xanthén-9-yl)oxy]propyle [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: 717.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 212.3±26.4 °C
Index of Refraction: 1.568
Molar Refractivity: 182.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 12.67
ACD/LogD (pH 5.5): 12.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 558.8±5.0 cm3

Click to predict properties on the Chemicalize site


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