ChemSpider 2D Image | N-Hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-N~5~,N~5~-dimethyl-L-glutamamide | C27H52N4O6

N-Hexanoyl-L-valyl-N1-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-N5,N5-dimethyl-L-glutamamide

  • Molecular FormulaC27H52N4O6
  • Average mass528.725 Da
  • Monoisotopic mass528.388672 Da
  • ChemSpider ID35034192
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Glutamamide, N-(1-oxohexyl)-L-valyl-N1-[(1S,2S,3R)-2,4-dihydroxy-3-methyl-1-(2-methylpropyl)butyl]-N5,N5-dimethyl- [ACD/Index Name]
N-Hexanoyl-L-valyl-N1-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-N5,N5-dimethyl-L-glutamamid [German] [ACD/IUPAC Name]
N-Hexanoyl-L-valyl-N1-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethyl-4-heptanyl]-N5,N5-dimethyl-L-glutamamide [ACD/IUPAC Name]
N-Hexanoyl-L-valyl-N1-[(2R,3S,4S)-1,3-dihydroxy-2,6-diméthyl-4-heptanyl]-N5,N5-diméthyl-L-glutamamide [French] [ACD/IUPAC Name]
N-Hexanoyl-L-Valyl-N1-[(2r,3s,4s)-1,3-Dihydroxy-2,6-Dimethylheptan-4-Yl]-N5,N5-Dimethyl-L-Glutamamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.497
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.62
ACD/KOC (pH 5.5): 421.41
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.62
ACD/KOC (pH 7.4): 421.41
Polar Surface Area: 148 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 494.0±3.0 cm3

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