ChemSpider 2D Image | N-Acetyl-L-threonyl-L-seryl-L-seryl-L-prolyl-L-seryl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-alaninamide | C27H43N7O14

N-Acetyl-L-threonyl-L-seryl-L-seryl-L-prolyl-L-seryl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-alaninamide

  • Molecular FormulaC27H43N7O14
  • Average mass689.669 Da
  • Monoisotopic mass689.286804 Da
  • ChemSpider ID392623
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

L-Alaninamide, N-acetyl-L-threonyl-L-seryl-L-seryl-L-prolyl-L-seryl-N-[(1S)-2-carboxy-1-formylethyl]- [ACD/Index Name]
N-Acetyl-L-threonyl-L-seryl-L-seryl-L-prolyl-L-seryl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-threonyl-L-seryl-L-seryl-L-prolyl-L-seryl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-L-thréonyl-L-séryl-L-séryl-L-prolyl-L-séryl-N-[(2S)-1-carboxy-3-oxo-2-propanyl]-L-alaninamide [French] [ACD/IUPAC Name]
p

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1320.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 223.6±6.0 kJ/mol
Flash Point: 752.3±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 21
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -2.86
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 330 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 479.0±3.0 cm3

Click to predict properties on the Chemicalize site






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