ChemSpider 2D Image | (2R)-2-Amino-2-methyl-4-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-2-pyrrolidinyl}butyl dihydrogen phosphate | C21H35N2O5P

(2R)-2-Amino-2-methyl-4-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-2-pyrrolidinyl}butyl dihydrogen phosphate

  • Molecular FormulaC21H35N2O5P
  • Average mass426.487 Da
  • Monoisotopic mass426.228363 Da
  • ChemSpider ID114551233

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-2-Amino-2-methyl-4-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-2-pyrrolidinyl}butyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Amino-2-methyl-4-{1-methyl-5-[4-(4-methylphenyl)butanoyl]-2-pyrrolidinyl}butyldihydrogenphosphat [German] [ACD/IUPAC Name]
1-Butanone, 1-[5-[(3R)-3-amino-3-methyl-4-(phosphonooxy)butyl]-1-methyl-2-pyrrolidinyl]-4-(4-methylphenyl)- [ACD/Index Name]
Dihydrogénophosphate de (2R)-2-amino-2-méthyl-4-{1-méthyl-5-[4-(4-méthylphényl)butanoyl]-2-pyrrolidinyl}butyle [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: 600.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 357.3±3.0 cm3

Click to predict properties on the Chemicalize site


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