ChemSpider 2D Image | 2-Hydroxy-3-(octadecyloxy)propyl dihydrogen phosphate | C21H45O6P

2-Hydroxy-3-(octadecyloxy)propyl dihydrogen phosphate

  • Molecular FormulaC21H45O6P
  • Average mass424.552 Da
  • Monoisotopic mass424.295380 Da
  • ChemSpider ID16017852

More details:

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

1,2-Propanediol, 3-(octadecyloxy)-, 1-(dihydrogen phosphate) [ACD/Index Name]
2-Hydroxy-3-(octadecyloxy)propyl dihydrogen phosphate [ACD/IUPAC Name]
2-Hydroxy-3-(octadecyloxy)propyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-hydroxy-3-(octadécyloxy)propyle [French] [ACD/IUPAC Name]
(2-hydroxy-3-octadecoxypropyl) dihydrogen phosphate
[2-HYDROXY-3-(OCTADECYLOXY)PROPOXY]PHOSPHONIC ACID
[52977-29-4] [RN]
1-Octadecyl Lysophosphatidic Acid
2-HYDROXY-3-(OCTADECYLOXY)PROPOXYPHOSPHONIC ACID
3-(octadecyloxy)-1-(dihydrogen phosphate)-1,2-propanediol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 560.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.7±32.9 °C
Index of Refraction: 1.476
Molar Refractivity: 114.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 18.94
ACD/KOC (pH 5.5): 32.17
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 3.70
Polar Surface Area: 106 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

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