ChemSpider 2D Image | N~2~-[(2R,3R,4R,5S)-5-{[(Benzyloxy)carbonyl]amino}-3,4-dihydroxy-2-isopropyl-7-methyloctanoyl]-N-(2-pyridinylmethyl)-L-isoleucinamide | C32H48N4O6

N2-[(2R,3R,4R,5S)-5-{[(Benzyloxy)carbonyl]amino}-3,4-dihydroxy-2-isopropyl-7-methyloctanoyl]-N-(2-pyridinylmethyl)-L-isoleucinamide

  • Molecular FormulaC32H48N4O6
  • Average mass584.747 Da
  • Monoisotopic mass584.357361 Da
  • ChemSpider ID23144927

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,2R,3R,4R)-2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-[[[(1S,2S)-2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(2R,3R,4R,5S)-5-{[(Benzyloxy)carbonyl]amino}-3,4-dihydroxy-2-isopropyl-7-methyloctanoyl]-N-(2-pyridinylmethyl)-L-isoleucinamid [German] [ACD/IUPAC Name]
N2-[(2R,3R,4R,5S)-5-{[(Benzyloxy)carbonyl]amino}-3,4-dihydroxy-2-isopropyl-7-methyloctanoyl]-N-(2-pyridinylmethyl)-L-isoleucinamide [ACD/IUPAC Name]
N2-[(2R,3R,4R,5S)-5-{[(Benzyloxy)carbonyl]amino}-3,4-dihydroxy-2-isopropyl-7-méthyloctanoyl]-N-(2-pyridinylméthyl)-L-isoleucinamide [French] [ACD/IUPAC Name]
((1S,2R,3R,4R)-2,3-Dihydroxy-1-isobutyl-5-methyl-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexyl)-carbamic acid benzyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 834.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.5±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 262.17
ACD/KOC (pH 5.5): 1837.34
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 280.29
ACD/KOC (pH 7.4): 1964.29
Polar Surface Area: 150 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 512.0±3.0 cm3

Click to predict properties on the Chemicalize site


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