ChemSpider 2D Image | (2S)-2-[(N-Acetyl-L-alpha-aspartyl)amino]nonanoic acid | C15H26N2O6

(2S)-2-[(N-Acetyl-L-α-aspartyl)amino]nonanoic acid

  • Molecular FormulaC15H26N2O6
  • Average mass330.377 Da
  • Monoisotopic mass330.179077 Da
  • ChemSpider ID26328902
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-[(N-Acetyl-L-α-asparagyl)amino]nonansäure [German] [ACD/IUPAC Name]
(2S)-2-[(N-Acetyl-L-α-aspartyl)amino]nonanoic acid [ACD/IUPAC Name]
Acide (2S)-2-[(N-acétyl-L-α-aspartyl)amino]nonanoïque [French] [ACD/IUPAC Name]
SDR

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 350.5±31.5 °C
Index of Refraction: 1.500
Molar Refractivity: 81.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 278.0±3.0 cm3

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