ChemSpider 2D Image | 2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl dihydrogen phosphate | C20H36NO5P

2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl dihydrogen phosphate

  • Molecular FormulaC20H36NO5P
  • Average mass401.477 Da
  • Monoisotopic mass401.233124 Da
  • ChemSpider ID24627493

More details:

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

1,3-Propanediol, 2-amino-2-[3-(4-octylphenyl)propyl]-, mono(dihydrogen phosphate) (ester) [ACD/Index Name]
2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl dihydrogen phosphate [ACD/IUPAC Name]
2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 2-amino-2-(hydroxyméthyl)-5-(4-octylphényl)pentyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.6±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 108.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 123 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 346.9±3.0 cm3

Click to predict properties on the Chemicalize site


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