ChemSpider 2D Image | D-Alanyl-L-alanyl-L-alanyl-L-alanine | C12H22N4O5

D-Alanyl-L-alanyl-L-alanyl-L-alanine

  • Molecular FormulaC12H22N4O5
  • Average mass302.327 Da
  • Monoisotopic mass302.159027 Da
  • ChemSpider ID62490200

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Alanyl-L-alanyl-L-alanyl-L-alanin [German] [ACD/IUPAC Name]
D-Alanyl-L-alanyl-L-alanyl-L-alanine [ACD/IUPAC Name]
D-Alanyl-L-alanyl-L-alanyl-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, D-alanyl-L-alanyl-L-alanyl- [ACD/Index Name]
L-Alanine, N-[(2R)-2-ammonio-1-oxopropyl]-L-alanyl-L-alanyl-, inner salt [ACD/Index Name]
N-[(2R)-2-Ammoniopropanoyl]-L-alanyl-N-[(1S)-1-carboxylatoethyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-[(2R)-2-Ammoniopropanoyl]-L-alanyl-N-[(1S)-1-carboxylatoethyl]-L-alaninamide [ACD/IUPAC Name]
N-[(2R)-2-Ammoniopropanoyl]-L-alanyl-N-[(1S)-1-carboxylatoéthyl]-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 112.1±6.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 244.2±3.0 cm3

Click to predict properties on the Chemicalize site


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