ChemSpider 2D Image | N-Benzoyl-D-alpha-glutamyl-4-[difluoro(phosphono)methyl]-D-phenylalanyl-4-[difluoro(phosphono)methyl]-D-phenylalaninamide | C32H34F4N4O12P2

N-Benzoyl-D-α-glutamyl-4-[difluoro(phosphono)methyl]-D-phenylalanyl-4-[difluoro(phosphono)methyl]-D-phenylalaninamide

  • Molecular FormulaC32H34F4N4O12P2
  • Average mass804.573 Da
  • Monoisotopic mass804.158447 Da
  • ChemSpider ID8208879

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID
D-Phenylalaninamide, N-benzoyl-D-α-glutamyl-4-(difluorophosphonomethyl)-D-phenylalanyl-4-(difluorophosphonomethyl)- [ACD/Index Name]
N-Benzoyl-D-α-glutamyl-4-[difluor(phosphono)methyl]-D-phenylalanyl-4-[difluor(phosphono)methyl]-D-phenylalaninamid [German] [ACD/IUPAC Name]
N-Benzoyl-D-α-glutamyl-4-[difluoro(phosphono)methyl]-D-phenylalanyl-4-[difluoro(phosphono)methyl]-D-phenylalaninamide [ACD/IUPAC Name]
N-Benzoyl-D-α-glutamyl-4-[difluoro(phosphono)méthyl]-D-phénylalanyl-4-[difluoro(phosphono)méthyl]-D-phénylalaninamide [French] [ACD/IUPAC Name]
(4R)-4-{[(1R)-1-{[(1R)-1-carbamoyl-2-{4-[difluoro(phosphono)methyl]phenyl}ethyl]carbamoyl}-2-{4-[difluoro(phosphono)methyl]phenyl}ethyl]carbamoyl}-4-(phenylformamido)butanoic acid

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: 1.597
Molar Refractivity: 177.0±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -6.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 519.1±3.0 cm3

Click to predict properties on the Chemicalize site


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