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

(2R)-2-Methoxy-3-(thiophosphonooxy)propyl stearate

  • Molecular FormulaC22H45O6PS
  • Average mass468.628 Da
  • Monoisotopic mass468.267456 Da
  • ChemSpider ID23224629

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-methoxy-3-(thiophosphonooxy)propyl octadecanoate
(2R)-2-Methoxy-3-(thiophosphonooxy)propyl stearate [ACD/IUPAC Name]
(2R)-2-Methoxy-3-(thiophosphonooxy)propylstearat [German] [ACD/IUPAC Name]
Octadecanoic acid, (2R)-3-[(hydroxymercaptophosphinyl)oxy]-2-methoxypropyl ester [ACD/Index Name]
Stéarate de (2R)-2-méthoxy-3-(thiophosphonooxy)propyle [French] [ACD/IUPAC Name]
Octadecanoic acid (R)-2-methoxy-3-thiophosphonooxy-propyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 298.5±32.9 °C
Index of Refraction: 1.493
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 74.61
ACD/KOC (pH 5.5): 85.44
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 9.94
Polar Surface Area: 127 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 435.3±3.0 cm3

Click to predict properties on the Chemicalize site


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