ChemSpider 2D Image | N~2~-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0~4,13~.0~8,13~]hexadec-10-yl]ethyl}-L-alpha-glutamine | C27H44N2O9

N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl}-L-α-glutamine

  • Molecular FormulaC27H44N2O9
  • Average mass540.646 Da
  • Monoisotopic mass540.304688 Da
  • ChemSpider ID9148765
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl}-L-α-glutamin [German] [ACD/IUPAC Name]
N2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-N-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]ethyl}-L-α-glutamine [ACD/IUPAC Name]
N2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-N-{2-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-triméthyl-11,14,15,16-tétraoxatétracyclo[10.3.1.04,13.08,13]hexadéc-10-yl]éthyl}-L-α-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: 706.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.0±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 39.40
ACD/KOC (pH 5.5): 234.22
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.72
Polar Surface Area: 142 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 433.8±5.0 cm3

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