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ChemSpider 2D Image | 5-Oxoprolylalanyllysylserylglutaminylglycylglycylserylasparagine | C33H54N12O15


  • Molecular FormulaC33H54N12O15
  • Average mass858.853 Da
  • Monoisotopic mass858.383179 Da
  • ChemSpider ID3484071

More details:

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

5-Oxoprolylalanyllysylserylglutaminylglycylglycylserylasparagin [German] [ACD/IUPAC Name]
5-Oxoprolylalanyllysylserylglutaminylglycylglycylserylasparagine [ACD/IUPAC Name]
5-Oxoprolylalanyllysylsérylglutaminylglycylglycylsérylasparagine [French] [ACD/IUPAC Name]
Asparagine, 5-oxoprolylalanyllysylserylglutaminylglycylglycylseryl- [ACD/Index Name]
(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
63958-90-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1658.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 293.0±6.0 kJ/mol
Flash Point: 957.1±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 200.2±0.3 cm3
#H bond acceptors: 27
#H bond donors: 18
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 3
ACD/LogP: -7.44
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 452 Å2
Polarizability: 79.4±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 605.7±3.0 cm3

Click to predict properties on the Chemicalize site