ChemSpider 2D Image | N-Acetyl-O-phosphono-L-tyrosyl-L-alpha-glutamyl-N-methyl-L-alpha-glutamine | C22H31N4O12P

N-Acetyl-O-phosphono-L-tyrosyl-L-α-glutamyl-N-methyl-L-α-glutamine

  • Molecular FormulaC22H31N4O12P
  • Average mass574.475 Da
  • Monoisotopic mass574.167603 Da
  • ChemSpider ID23125404

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-α-Glutamine, N-acetyl-O-phosphono-L-tyrosyl-L-α-glutamyl-N-methyl- [ACD/Index Name]
N-Acetyl-O-phosphono-L-tyrosyl-L-α-glutamyl-N-methyl-L-α-glutamin [German] [ACD/IUPAC Name]
N-Acetyl-O-phosphono-L-tyrosyl-L-α-glutamyl-N-methyl-L-α-glutamine [ACD/IUPAC Name]
N-Acétyl-O-phosphono-L-tyrosyl-L-α-glutamyl-N-méthyl-L-α-glutamine [French] [ACD/IUPAC Name]
(S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-((S)-3-carboxy-1-methylcarbamoyl-propylcarbamoyl)-butyric acid
CHEMBL29557

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.575
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 394.1±3.0 cm3

Click to predict properties on the Chemicalize site


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