ChemSpider 2D Image | Methyl (3R)-1-(N~6~-[(benzyloxy)carbonyl]-N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-lysyl)-3-piperidinecarboxylate | C26H39N3O7

Methyl (3R)-1-(N6-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-lysyl)-3-piperidinecarboxylate

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID8204751

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-(N6-[(Benzyloxy)carbonyl]-N2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-lysyl)-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(2R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-6-[[(phenylmethoxy)carbonyl]amino]hexyl]-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-1-(N6-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-lysyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(3R)-1-(N6-[(benzyloxy)carbonyl]-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-lysyl)-3-piperidincarboxylat [German] [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: 682.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±31.5 °C
Index of Refraction: 1.525
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.85
ACD/KOC (pH 5.5): 1721.74
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.84
ACD/KOC (pH 7.4): 1721.58
Polar Surface Area: 123 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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