ChemSpider 2D Image | (3S,4S)-N-Butyl-3-hydroxy-6-methyl-4-{[N-(2-naphthylacetyl)-L-isoleucyl]amino}heptanamide | C30H45N3O4

(3S,4S)-N-Butyl-3-hydroxy-6-methyl-4-{[N-(2-naphthylacetyl)-L-isoleucyl]amino}heptanamide

  • Molecular FormulaC30H45N3O4
  • Average mass511.696 Da
  • Monoisotopic mass511.341000 Da
  • ChemSpider ID25058098

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S)-N-Butyl-3-hydroxy-6-méthyl-4-({N-[2-(2-naphtyl)acétyl]-L-isoleucyl}amino)heptanamide [French] [ACD/IUPAC Name]
(3S,4S)-N-Butyl-3-hydroxy-6-methyl-4-{[N-(2-naphthylacetyl)-L-isoleucyl]amino}heptanamid [German] [ACD/IUPAC Name]
(3S,4S)-N-Butyl-3-hydroxy-6-methyl-4-{[N-(2-naphthylacetyl)-L-isoleucyl]amino}heptanamide [ACD/IUPAC Name]
2-Naphthaleneacetamide, N-[(1S,2S)-1-[[[(1S,2S)-4-(butylamino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]amino]carbonyl]-2-methylbutyl]- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 800.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±0.0 kJ/mol
Flash Point: 437.7±0.0 °C
Index of Refraction: 1.547
Molar Refractivity: 149.2±0.0 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14134.58
ACD/KOC (pH 5.5): 32535.70
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14134.58
ACD/KOC (pH 7.4): 32535.70
Polar Surface Area: 108 Å2
Polarizability: 59.2±0.0 10-24cm3
Surface Tension: 43.2±0.0 dyne/cm
Molar Volume: 470.7±0.0 cm3

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