ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[4-(hydroxymethyl)phenyl]-L-alaninamide | C20H31N3O5

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[4-(hydroxymethyl)phenyl]-L-alaninamide

  • Molecular FormulaC20H31N3O5
  • Average mass393.477 Da
  • Monoisotopic mass393.226379 Da
  • ChemSpider ID48074173

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N-[4-(hydroxymethyl)phenyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[4-(hydroxymethyl)phenyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[4-(hydroxymethyl)phenyl]-L-alaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[4-(hydroxyméthyl)phényl]-L-alaninamide [French] [ACD/IUPAC Name]
1343476-44-7 [RN]
1884577-99-4 [RN]
Boc-Val-Ala-PAB
L-Alaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N-[4-(hydroxymethyl)p...
MFCD28557280
tert-Butyl ((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)carbamate
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.2±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.10
ACD/KOC (pH 5.5): 194.90
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.10
ACD/KOC (pH 7.4): 194.84
Polar Surface Area: 117 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 337.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement