ChemSpider 2D Image | N-Dodecanoyl-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]-D-glutamine | C27H49N5O8

N-Dodecanoyl-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]-D-glutamine

  • Molecular FormulaC27H49N5O8
  • Average mass571.707 Da
  • Monoisotopic mass571.358093 Da
  • ChemSpider ID30817456

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

D-Glutamine, N-(1-oxododecyl)-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]- [ACD/Index Name]
N-Dodecanoyl-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]-D-glutamin [German] [ACD/IUPAC Name]
N-Dodecanoyl-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]-D-glutamine [ACD/IUPAC Name]
N-Dodecanoyl-D-alanyl-N-[(1S,5S)-5,6-diamino-1-carboxy-6-oxohexyl]-D-glutamine [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: 943.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.9±6.0 kJ/mol
Flash Point: 524.3±34.3 °C
Index of Refraction: 1.520
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 231 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 487.3±3.0 cm3

Click to predict properties on the Chemicalize site


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