ChemSpider 2D Image | N-(4-Carboxybutanoyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthyl)-L-alaninamide | C25H32N4O7

N-(4-Carboxybutanoyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthyl)-L-alaninamide

  • Molecular FormulaC25H32N4O7
  • Average mass500.544 Da
  • Monoisotopic mass500.227112 Da
  • ChemSpider ID23014698

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Alaninamide, N-(4-carboxy-1-oxobutyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthalenyl)- [ACD/Index Name]
N-(4-Carboxybutanoyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-alanyl-L-alanyl-N-(4-methoxy-2-naphthyl)-L-alaninamide [ACD/IUPAC Name]
N-(4-Carboxybutanoyl)-L-alanyl-L-alanyl-N-(4-méthoxy-2-naphtyl)-L-alaninamide [French] [ACD/IUPAC Name]
70996-04-2 [RN]
Glutaryl-Ala-Ala-Ala-4M??NA
Glutaryl-Ala-Ala-Ala-4MbetaNA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 934.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 519.1±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.20
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 392.3±3.0 cm3

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