ChemSpider 2D Image | N-Acetyl-O-phosphono-L-tyrosyl-N-[(2S)-1-amino-4-cyclohexyl-1-oxo-2-butanyl]-L-alpha-glutamine | C26H39N4O10P

N-Acetyl-O-phosphono-L-tyrosyl-N-[(2S)-1-amino-4-cyclohexyl-1-oxo-2-butanyl]-L-α-glutamine

  • Molecular FormulaC26H39N4O10P
  • Average mass598.582 Da
  • Monoisotopic mass598.240356 Da
  • ChemSpider ID23150612

  • 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-N-[(1S)-1-(aminocarbonyl)-3-cyclohexylpropyl]- [ACD/Index Name]
N-Acetyl-O-phosphono-L-tyrosyl-N-[(2S)-1-amino-4-cyclohexyl-1-oxo-2-butanyl]-L-α-glutamin [German] [ACD/IUPAC Name]
N-Acetyl-O-phosphono-L-tyrosyl-N-[(2S)-1-amino-4-cyclohexyl-1-oxo-2-butanyl]-L-α-glutamine [ACD/IUPAC Name]
N-Acétyl-O-phosphono-L-tyrosyl-N-[(2S)-1-amino-4-cyclohexyl-1-oxo-2-butanyl]-L-α-glutamine [French] [ACD/IUPAC Name]
(S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-propionylamino]-4-((S)-1-carbamoyl-3-cyclohexyl-propylcarbamoyl)-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL293803/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 144.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -5.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 443.8±3.0 cm3

Click to predict properties on the Chemicalize site


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