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Search term: JYAROLONGLXUOT-QFIPXVFZSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | O-[(2S)-2-Methoxy-3-(octadecyloxy)propyl] dihydrogen phosphorothioate | C22H47O5PS

O-[(2S)-2-Methoxy-3-(octadecyloxy)propyl] dihydrogen phosphorothioate

  • Molecular FormulaC22H47O5PS
  • Average mass454.644 Da
  • Monoisotopic mass454.288177 Da
  • ChemSpider ID29416613
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Dihydrogénophosphorothioate de O-[(2S)-2-méthoxy-3-(octadécyloxy)propyle] [French] [ACD/IUPAC Name]
O-[(2S)-2-Methoxy-3-(octadecyloxy)propyl] dihydrogen phosphorothioate [ACD/IUPAC Name]
O-[(2S)-2-Methoxy-3-(octadecyloxy)propyl]dihydrogenphosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioic acid, O-[(2S)-2-methoxy-3-(octadecyloxy)propyl] ester [ACD/Index Name]
10.1016/j.bmcl.2013.01.002

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 551.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.489
Molar Refractivity: 126.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 121.71
ACD/KOC (pH 5.5): 122.07
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 14.11
ACD/KOC (pH 7.4): 14.15
Polar Surface Area: 110 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 438.2±3.0 cm3

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