ChemSpider 2D Image | N-Acetyl-2-methylalanyl-D-prolyl-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-methylalanyl-2-meth ylalanyl-L-glutaminyl-N~1~-{1-[(2-hydroxyethyl)amino]-3-phenyl-2-propanyl}glutamamide | C94H156N24O24

N-Acetyl-2-methylalanyl-D-prolyl-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-methylalanyl-2-meth ylalanyl-L-glutaminyl-N1-{1-[(2-hydroxyethyl)amino]-3-phenyl-2-propanyl}glutamamide

  • Molecular FormulaC94H156N24O24
  • Average mass2006.391 Da
  • Monoisotopic mass2005.172485 Da
  • ChemSpider ID78440265

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

Glutamamide, N-acetyl-2-methylalanyl-D-prolyl-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-methyl ;alanyl-2-methylalanyl-L-glutaminyl-N1-[2-[(2-hydroxyethyl)amino]-1-(phenylmethyl)ethyl]- [ACD/Index Name]
N-Acetyl-2-methylalanyl-D-prolyl-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-methylalanyl-2-meth ;ylalanyl-L-glutaminyl-N1-{1-[(2-hydroxyethyl)amino]-3-phenyl-2-propanyl}glutamamid [German] [ACD/IUPAC Name]
N-Acetyl-2-methylalanyl-D-prolyl-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-methylalanyl-2-meth ;ylalanyl-L-glutaminyl-N1-{1-[(2-hydroxyethyl)amino]-3-phenyl-2-propanyl}glutamamide [ACD/IUPAC Name]
N-Acétyl-2-méthylalanyl-D-prolyl-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-méthylalanyl-2-méth ;ylalanyl-L-glutaminyl-N1-{1-[(2-hydroxyéthyl)amino]-3-phényl-2-propanyl}glutamamide [French] [ACD/IUPAC Name]
septocylindrin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 2124.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 377.9±3.0 kJ/mol
Flash Point: 1238.5±34.3 °C
Index of Refraction: 1.547
Molar Refractivity: 517.1±0.3 cm3
#H bond acceptors: 48
#H bond donors: 26
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -6.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 726 Å2
Polarizability: 205.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 1631.4±3.0 cm3

Click to predict properties on the Chemicalize site


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