ChemSpider 2D Image | Methyl (betaS)-beta-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-nitro-D-phenylalaninate | C15H20N2O7

Methyl (βS)-β-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-nitro-D-phenylalaninate

  • Molecular FormulaC15H20N2O7
  • Average mass340.328 Da
  • Monoisotopic mass340.127045 Da
  • ChemSpider ID22837188

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(βS)-β-Hydroxy-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-nitro-D-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-2-nitro-, methyl ester, (βS)- [ACD/Index Name]
Methyl (βS)-β-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-nitro-D-phenylalaninate [ACD/IUPAC Name]
Methyl-(βS)-β-hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-nitro-D-phenylalaninat [German] [ACD/IUPAC Name]
475977-60-7 [RN]
methyl (2R,3S)-2-[(tert-butoxycarbonyl)amino]-3-hydroxy-3-(2-nitrophenyl)propanoate
methyl (2R,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxy-3-(2-nitrophenyl)propanoate
MFCD09971708 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 515.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 265.4±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.94
ACD/KOC (pH 5.5): 367.70
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.91
ACD/KOC (pH 7.4): 367.32
Polar Surface Area: 131 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 264.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement