ChemSpider 2D Image | N-Acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-L-glutaminyl-2-methylalanyl-L-valyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-methylalanylisovaly l-L-alpha-glutamyl-L-glutaminyl-L-phenylalanine | C91H148N22O26

N-Acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-L-glutaminyl-2-methylalanyl-L-valyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-methylalanylisovaly l-L-α-glutamyl-L-glutaminyl-L-phenylalanine

  • Molecular FormulaC91H148N22O26
  • Average mass1966.281 Da
  • Monoisotopic mass1965.093506 Da
  • ChemSpider ID78436220

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

L-Phenylalanine, N-acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-L-glutaminyl-2-methylalanyl-L-valyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-me ;thylalanylisovalyl-L-α-glutamyl-L-glutaminyl- [ACD/Index Name]
N-Acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-L-glutaminyl-2-methylalanyl-L-valyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-methylalanylisovaly ;l-L-α-glutamyl-L-glutaminyl-L-phenylalanin [German] [ACD/IUPAC Name]
N-Acetyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-2-methylalanyl-L-alanyl-L-glutaminyl-2-methylalanyl-L-valyl-2-methylalanylglycyl-L-leucyl-2-methylalanyl-L-prolyl-L-valyl-2-methylalanylisovaly ;l-L-α-glutamyl-L-glutaminyl-L-phenylalanine [ACD/IUPAC Name]
N-Acétyl-2-méthylalanyl-L-alanyl-2-méthylalanyl-L-alanyl-2-méthylalanyl-L-alanyl-L-glutaminyl-2-méthylalanyl-L-valyl-2-méthylalanylglycyl-L-leucyl-2-méthylalanyl-L-prolyl-L-valyl-2-méthylalanylisovaly ;l-L-α-glutamyl-L-glutaminyl-L-phénylalanine [French] [ACD/IUPAC Name]
Longibrachin LGB III

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

Density: 1.2±0.1 g/cm3
Boiling Point: 2096.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 371.3±3.0 kJ/mol
Flash Point: 1221.8±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 499.9±0.3 cm3
#H bond acceptors: 48
#H bond donors: 25
#Freely Rotating Bonds: 55
#Rule of 5 Violations: 3
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 734 Å2
Polarizability: 198.2±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 1585.8±3.0 cm3

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