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Search term: QSDGPAGGGCSJBM-DCPHZVHLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2-Naphthoyl)valyl-N-(1-carboxy-3-oxo-2-propanyl)alaninamide | C23H27N3O6

N-(2-Naphthoyl)valyl-N-(1-carboxy-3-oxo-2-propanyl)alaninamide

  • Molecular FormulaC23H27N3O6
  • Average mass441.477 Da
  • Monoisotopic mass441.189972 Da
  • ChemSpider ID24645805

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Alaninamide, N-(2-naphthalenylcarbonyl)valyl-N-(2-carboxy-1-formylethyl)- [ACD/Index Name]
N-(2-Naphthoyl)valyl-N-(1-carboxy-3-oxo-2-propanyl)alaninamid [German] [ACD/IUPAC Name]
N-(2-Naphthoyl)valyl-N-(1-carboxy-3-oxo-2-propanyl)alaninamide [ACD/IUPAC Name]
N-(2-Naphtoyl)valyl-N-(1-carboxy-3-oxo-2-propanyl)alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 817.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.4±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.89
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

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