ChemSpider 2D Image | Benzyl N~6~-[(benzyloxy)carbonyl]-N~2~-{(3S)-3-[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]-4-penten-1-yl}-L-lysinate | C36H51N3O7

Benzyl N6-[(benzyloxy)carbonyl]-N2-{(3S)-3-[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]-4-penten-1-yl}-L-lysinate

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID9631274

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzyl N6-[(benzyloxy)carbonyl]-N2-{(3S)-3-[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]-4-penten-1-yl}-L-lysinate [ACD/IUPAC Name]
Benzyl-N6-[(benzyloxy)carbonyl]-N2-{(3S)-3-[(4S)-2,2-dimethyl-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]-4-penten-1-yl}-L-lysinat [German] [ACD/IUPAC Name]
L-Lysine, N2-[(3S)-3-[(4S)-3-[(1,1-dimethylethoxy)carbonyl]-2,2-dimethyl-4-oxazolidinyl]-4-penten-1-yl]-N6-[(phenylmethoxy)carbonyl]-, phenylmethyl ester [ACD/Index Name]
N6-[(Benzyloxy)carbonyl]-N2-{(3S)-3-[(4S)-2,2-diméthyl-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,3-oxazolidin-4-yl]-4-pentén-1-yl}-L-lysinate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 719.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.533
Molar Refractivity: 177.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 182.34
ACD/KOC (pH 5.5): 458.79
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 5963.41
ACD/KOC (pH 7.4): 15004.58
Polar Surface Area: 115 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 571.6±3.0 cm3

Click to predict properties on the Chemicalize site


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