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Search term: AYKYANCQUONAPE-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Methoxy-3-(thiophosphonooxy)propyl stearate | C22H45O6PS

2-Methoxy-3-(thiophosphonooxy)propyl stearate

  • Molecular FormulaC22H45O6PS
  • Average mass468.628 Da
  • Monoisotopic mass468.267456 Da
  • ChemSpider ID28529988

More details:

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

2-Methoxy-3-(thiophosphonooxy)propyl stearate [ACD/IUPAC Name]
2-Methoxy-3-(thiophosphonooxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, 3-[(hydroxymercaptophosphinyl)oxy]-2-methoxypropyl ester [ACD/Index Name]
Stéarate de 2-méthoxy-3-(thiophosphonooxy)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: 551.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 287.3±32.9 °C
Index of Refraction: 1.477
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 87.67
ACD/KOC (pH 5.5): 79.56
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 14.18
ACD/KOC (pH 7.4): 12.86
Polar Surface Area: 131 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 444.0±3.0 cm3

Click to predict properties on the Chemicalize site


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