ChemSpider 2D Image | L-Glutaminyl-L-alpha-glutamyl-L-alpha-aspartyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L-cysteinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteine | C61H101N17O25S4

L-Glutaminyl-L-α-glutamyl-L-α-aspartyl-L-cysteinyl-L-α-glutamyl-L-leucyl-L-cysteinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteine

  • Molecular FormulaC61H101N17O25S4
  • Average mass1600.813 Da
  • Monoisotopic mass1599.603760 Da
  • ChemSpider ID4589972
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

L-Cysteine, L-glutaminyl-L-α-glutamyl-L-α-aspartyl-L-cysteinyl-L-α-glutamyl-L-leucyl-L-cysteinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl- [ACD/Index Name]
L-Glutaminyl-L-α-glutamyl-L-α-asparagyl-L-cysteinyl-L-α-glutamyl-L-leucyl-L-cysteinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cystein [German] [ACD/IUPAC Name]
L-Glutaminyl-L-α-glutamyl-L-α-aspartyl-L-cysteinyl-L-α-glutamyl-L-leucyl-L-cysteinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteine [ACD/IUPAC Name]
L-Glutaminyl-L-α-glutamyl-L-α-aspartyl-L-cystéinyl-L-α-glutamyl-L-leucyl-L-cystéinyl-L-isoleucyl-L-asparaginyl-L-valyl-L-alanyl-L-cystéinyl-L-thréonylglycyl-L-cystéine [French] [ACD/IUPAC Name]
152175-68-3 [RN]
Guanylin (rat reduced), 1-L-glutamine-2-L-glutamic acid-3-L-aspartic acid-6-L-leucine-8-L-isoleucine-9-L-asparagine-10-L-valine-
Uroguanylin [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 2000.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 371.1±6.0 kJ/mol
Flash Point: 1163.8±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 384.7±0.3 cm3
#H bond acceptors: 42
#H bond donors: 25
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 3
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -7.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 844 Å2
Polarizability: 152.5±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 1162.8±3.0 cm3

Click to predict properties on the Chemicalize site





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