ChemSpider 2D Image | (3R)-3-({N-[{[2-(2-Methyl-2-propanyl)phenyl]amino}(oxo)acetyl]-D-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid | C26H27F4N3O7

(3R)-3-({N-[{[2-(2-Methyl-2-propanyl)phenyl]amino}(oxo)acetyl]-D-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid

  • Molecular FormulaC26H27F4N3O7
  • Average mass569.502 Da
  • Monoisotopic mass569.178528 Da
  • ChemSpider ID114969119

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-({N-[{[2-(2-Methyl-2-propanyl)phenyl]amino}(oxo)acetyl]-D-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid [ACD/IUPAC Name]
(3R)-3-({N-[{[2-(2-Methyl-2-propanyl)phenyl]amino}(oxo)acetyl]-D-alanyl}amino)-4-oxo-5-(2,3,5,6-tetrafluorphenoxy)pentansäure [German] [ACD/IUPAC Name]
Acide (3R)-3-{[N-(2-{[2-(2-méthyl-2-propanyl)phényl]amino}-2-oxoacétyl)-D-alanyl]amino}-4-oxo-5-(2,3,5,6-tétrafluorophénoxy)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-[[(2R)-2-[[2-[[2-(1,1-dimethylethyl)phenyl]amino]-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-, (3R)- [ACD/Index 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: 1.550
Molar Refractivity: 131.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 27.93
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 410.9±3.0 cm3

Click to predict properties on the Chemicalize site


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