ChemSpider 2D Image | alpha-Aspartyl-L-prolyl-L-prolyl-L-alpha-aspartyl-L-proline | C23H33N5O10

α-Aspartyl-L-prolyl-L-prolyl-L-α-aspartyl-L-proline

  • Molecular FormulaC23H33N5O10
  • Average mass539.536 Da
  • Monoisotopic mass539.222717 Da
  • ChemSpider ID57461413

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Proline, α-aspartyl-L-prolyl-L-prolyl-L-α-aspartyl- [ACD/Index Name]
α-Asparagyl-L-prolyl-L-prolyl-L-α-asparagyl-L-prolin [German] [ACD/IUPAC Name]
α-Aspartyl-L-prolyl-L-prolyl-L-α-aspartyl-L-proline [ACD/IUPAC Name]
α-Aspartyl-L-prolyl-L-prolyl-L-α-aspartyl-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-1-[(2S)-2-AMINO-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-CARBOXYPROPANOYL]PYRROLIDINE-2-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 989.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.4±6.0 kJ/mol
Flash Point: 552.2±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -4.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

Click to predict properties on the Chemicalize site


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