ChemSpider 2D Image | N-Acetyl-L-seryl-O-(4-acetoxyphenyl)-L-tyrosyl-L-valine | C27H33N3O9

N-Acetyl-L-seryl-O-(4-acetoxyphenyl)-L-tyrosyl-L-valine

  • Molecular FormulaC27H33N3O9
  • Average mass543.566 Da
  • Monoisotopic mass543.221680 Da
  • ChemSpider ID8825534

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Valine, N-acetyl-L-seryl-O-[4-(acetyloxy)phenyl]-L-tyrosyl- [ACD/Index Name]
N-Acetyl-L-seryl-O-(4-acetoxyphenyl)-L-tyrosyl-L-valin [German] [ACD/IUPAC Name]
N-Acetyl-L-seryl-O-(4-acetoxyphenyl)-L-tyrosyl-L-valine [ACD/IUPAC Name]
N-Acétyl-L-séryl-O-(4-acétoxyphényl)-L-tyrosyl-L-valine [French] [ACD/IUPAC Name]
N-acetyl-L-seryl-O-[4-(acetyloxy)phenyl]-L-tyrosyl-L-valine
(S)-2-[(S)-3-[4-(4-Acetoxy-phenoxy)-phenyl]-2-((S)-2-acetylamino-3-hydroxy-propionylamino)-propionylamino]-3-methyl-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 893.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 494.0±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 423.5±3.0 cm3

Click to predict properties on the Chemicalize site


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