ChemSpider 2D Image | Methyl N~2~-acetyl-L-asparaginyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-alpha-methyl-L-phenylalaninate | C53H76N14O12

Methyl N2-acetyl-L-asparaginyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-α-methyl-L-phenylalaninate

  • Molecular FormulaC53H76N14O12
  • Average mass1101.257 Da
  • Monoisotopic mass1100.576660 Da
  • ChemSpider ID30810810

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

L-Phenylalanine, N2-acetyl-L-asparaginyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-α-methyl-, methyl ester [ACD/Index Name]
Methyl N2-acetyl-L-asparaginyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-α-methyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N2-acetyl-L-asparaginyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-α-methyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N2-Acétyl-L-asparaginyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-α-méthyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 286.9±0.5 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 407 Å2
Polarizability: 113.7±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 791.4±7.0 cm3

Click to predict properties on the Chemicalize site


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