ChemSpider 2D Image | N-({4-[Difluoro(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide | C28H29F4N3O9P2

N-({4-[Difluoro(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide

  • Molecular FormulaC28H29F4N3O9P2
  • Average mass689.486 Da
  • Monoisotopic mass689.131531 Da
  • ChemSpider ID7828120
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

L-Phenylalaninamide, N-[2-[4-(difluorophosphonomethyl)phenyl]acetyl]-L-phenylalanyl-4-(difluorophosphonomethyl)- [ACD/Index Name]
N-({4-[Difluor(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluor(phosphono)methyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-({4-[Difluoro(phosphono)methyl]phenyl}acetyl)-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-(2-{4-[Difluoro(phosphono)méthyl]phényl}acétyl)-L-phénylalanyl-4-[difluoro(phosphono)méthyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
DFJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

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