ChemSpider 2D Image | N~2~-({(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-L-lysine | C22H30N4O5S

N2-({(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-L-lysine

  • Molecular FormulaC22H30N4O5S
  • Average mass462.562 Da
  • Monoisotopic mass462.193695 Da
  • ChemSpider ID21782038

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Penicilloyl polylysine
L-Lysine, N2-[[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]- [ACD/Index Name]
N2-({(2S,5R,6R)-3,3-Diméthyl-7-oxo-6-[(2-phénylacétyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-L-lysine [French] [ACD/IUPAC Name]
N2-({(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-L-lysin [German] [ACD/IUPAC Name]
N2-({(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-yl}carbonyl)-L-lysine [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -1.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 340.6±5.0 cm3

Click to predict properties on the Chemicalize site


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