ChemSpider 2D Image | N-(Ethoxycarbonyl)-L-leucyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-leucinamide | C29H55N3O6

N-(Ethoxycarbonyl)-L-leucyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-leucinamide

  • Molecular FormulaC29H55N3O6
  • Average mass541.763 Da
  • Monoisotopic mass541.409058 Da
  • ChemSpider ID394881

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Leucinamide, N-(ethoxycarbonyl)-L-leucyl-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]- [ACD/Index Name]
N-(Ethoxycarbonyl)-L-Leucyl-N-[(1r,2s,3s)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]-L-Leucinamide
N-(Ethoxycarbonyl)-L-leucyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-(Ethoxycarbonyl)-L-leucyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methyl-2-heptanyl]-L-leucinamide [ACD/IUPAC Name]
N-(Éthoxycarbonyl)-L-leucyl-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-méthyl-2-heptanyl]-L-leucinamide [French] [ACD/IUPAC Name]
0ZL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 755.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.6±6.0 kJ/mol
Flash Point: 410.8±32.9 °C
Index of Refraction: 1.495
Molar Refractivity: 149.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2855.19
ACD/KOC (pH 5.5): 10354.71
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2854.43
ACD/KOC (pH 7.4): 10351.98
Polar Surface Area: 137 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 512.9±3.0 cm3

Click to predict properties on the Chemicalize site


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