ChemSpider 2D Image | (2S,4S,5S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-[4-(2-methoxyphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]hexanamide | C27H45N5O5

(2S,4S,5S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-[4-(2-methoxyphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]hexanamide

  • Molecular FormulaC27H45N5O5
  • Average mass519.677 Da
  • Monoisotopic mass519.342041 Da
  • ChemSpider ID28523383

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4S,5S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-[4-(2-methoxyphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]hexanamide [ACD/IUPAC Name]
(2S,4S,5S)-5-Amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-[4-(2-methoxyphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]hexanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,4S,5S)-5-Amino-N-(3-amino-2,2-diméthyl-3-oxopropyl)-4-hydroxy-2-isopropyl-6-[4-(2-méthoxyphényl)-2,2-diméthyl-5-oxo-1-pipérazinyl]hexanamide (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 804.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.6±3.0 kJ/mol
Flash Point: 440.0±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.27
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 151 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 456.8±3.0 cm3

Click to predict properties on the Chemicalize site


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