ChemSpider 2D Image | (3R)-3-[(N-{3-Amino-5-[(5-fluoro-1,4,5,6-tetrahydro-2-pyrimidinyl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-dimethylphenyl)propanoic acid | C24H29FN6O5

(3R)-3-[(N-{3-Amino-5-[(5-fluoro-1,4,5,6-tetrahydro-2-pyrimidinyl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-dimethylphenyl)propanoic acid

  • Molecular FormulaC24H29FN6O5
  • Average mass500.523 Da
  • Monoisotopic mass500.218353 Da
  • ChemSpider ID23291027

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-[(N-{3-Amino-5-[(5-fluor-1,4,5,6-tetrahydro-2-pyrimidinyl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-dimethylphenyl)propansäure [German] [ACD/IUPAC Name]
(3R)-3-[(N-{3-Amino-5-[(5-fluoro-1,4,5,6-tetrahydro-2-pyrimidinyl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-dimethylphenyl)propanoic acid [ACD/IUPAC Name]
(3R)-3-[(N-{3-amino-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-dimethylphenyl)propanoic acid
Acide (3R)-3-[(N-{3-amino-5-[(5-fluoro-1,4,5,6-tétrahydro-2-pyrimidinyl)amino]benzoyl}glycyl)amino]-3-(2-hydroxy-3,5-diméthylphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[2-[[3-amino-5-[(5-fluoro-1,4,5,6-tetrahydro-2-pyrimidinyl)amino]benzoyl]amino]acetyl]amino]-2-hydroxy-3,5-dimethyl-, (βR)- [ACD/Index Name]
(3R)-3-(2-(3-amino-5-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)-3-(2-hydroxy-3,5-dimethylphenyl)propanoic acid
CHEMBL242284

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: 1.664
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


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