ChemSpider 2D Image | (4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-proline | C12H20N2O5

(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-proline

  • Molecular FormulaC12H20N2O5
  • Average mass272.298 Da
  • Monoisotopic mass272.137207 Da
  • ChemSpider ID24534234

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-prolin [German] [ACD/IUPAC Name]
(4R)-4-{[(4R)-4-Hydroxy-1-methyl-L-prolyl]oxy}-1-methyl-L-proline [ACD/IUPAC Name]
(4R)-4-{[(4R)-4-Hydroxy-1-méthyl-L-prolyl]oxy}-1-méthyl-L-proline [French] [ACD/IUPAC Name]
N-methyl trans-4-hydroxy-L-proline (2S,4R)-4-hydroxy-1-methyl pyrrolidine-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 436.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 217.8±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 200.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement