ChemSpider 2D Image | Methyl 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}-N~2~-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysinate | C45H57N3O9

Methyl 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}-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysinate

  • Molecular FormulaC45H57N3O9
  • Average mass783.949 Da
  • Monoisotopic mass783.409485 Da
  • ChemSpider ID9597770

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Lysine, N2-[(3S)-3-[(4S)-3-[(1,1-dimethylethoxy)carbonyl]-2,2-dimethyl-4-oxazolidinyl]-4-penten-1-yl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-, methyl ester [ACD/Index Name]
Methyl 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}-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysinate [ACD/IUPAC Name]
Methyl-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}-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysinat [German] [ACD/IUPAC 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}-N2-[(9H-fluorén-9-ylméthoxy)carbonyl]-L-lysinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 845.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 465.0±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 215.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1201638.75
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1201632.13
Polar Surface Area: 133 Å2
Polarizability: 85.6±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 670.2±3.0 cm3

Click to predict properties on the Chemicalize site


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