ChemSpider 2D Image | BOC-VAL-MET-OME | C16H30N2O5S

BOC-VAL-MET-OME

  • Molecular FormulaC16H30N2O5S
  • Average mass362.485 Da
  • Monoisotopic mass362.187531 Da
  • ChemSpider ID29361863

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

68164-29-4 [RN]
BOC-VAL-MET-OME
L-Methionine, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-methioninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-methioninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-L-méthioninate de méthyle [French] [ACD/IUPAC Name]
METHYL (2S)-2-[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANAMIDO]-4-(METHYLSULFANYL)BUTANOATE
METHYL (2S)-2-[(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-METHYLBUTANAMIDO]-4-(METHYLSULFANYL)BUTANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.487
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.53
ACD/KOC (pH 5.5): 617.08
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.51
ACD/KOC (pH 7.4): 616.90
Polar Surface Area: 119 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 329.5±3.0 cm3

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