ChemSpider 2D Image | 3-{2-[(3R,4R)-3-{[(2-Hydroxyethyl)(methyl)amino]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione | C15H26N4O5

3-{2-[(3R,4R)-3-{[(2-Hydroxyethyl)(methyl)amino]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione

  • Molecular FormulaC15H26N4O5
  • Average mass342.391 Da
  • Monoisotopic mass342.190308 Da
  • ChemSpider ID29725040

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4-Imidazolidinedione, 3-[2-[(3R,4R)-3-[[(2-hydroxyethyl)methylamino]methyl]-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-methyl- [ACD/Index Name]
3-{2-[(3R,4R)-3-{[(2-Hydroxyethyl)(methyl)amino]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidindion [German] [ACD/IUPAC Name]
3-{2-[(3R,4R)-3-{[(2-Hydroxyethyl)(methyl)amino]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione [ACD/IUPAC Name]
3-{2-[(3R,4R)-3-{[(2-Hydroxyéthyl)(méthyl)amino]méthyl}-4-(hydroxyméthyl)-1-pyrrolidinyl]-2-oxoéthyl}-1-méthyl-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
3-{2-[(3R*,4R*)-3-{[(2-hydroxyethyl)(methyl)amino]methyl}-4-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1-methyl-2,4-imidazolidinedione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.6±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 284.3±30.9 °C
Index of Refraction: 1.557
Molar Refractivity: 85.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 264.8±3.0 cm3

Click to predict properties on the Chemicalize site


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