ChemSpider 2D Image | [(3R)-3-Amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid | C20H36NO4P

[(3R)-3-Amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid

  • Molecular FormulaC20H36NO4P
  • Average mass385.478 Da
  • Monoisotopic mass385.238190 Da
  • ChemSpider ID48061228

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3R)-3-Amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonic acid [ACD/IUPAC Name]
[(3R)-3-Amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(3R)-3-amino-3-(hydroxyméthyl)-5-(4-octylphényl)pentyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3R)-3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pentyl]- [ACD/Index Name]
(R)-FTY-720 Phosphonate
1142015-26-6 [RN]

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

Density: 1.1±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: 1.539
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.87
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 114 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

Click to predict properties on the Chemicalize site


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