ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-3,4-difluoro-6-iodo-L-phenylalanine | C17H14F2INO4

N-[(Benzyloxy)carbonyl]-3,4-difluoro-6-iodo-L-phenylalanine

  • Molecular FormulaC17H14F2INO4
  • Average mass461.199 Da
  • Monoisotopic mass460.993561 Da
  • ChemSpider ID98135372

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, 3,4-difluoro-6-iodo-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3,4-difluor-6-iod-L-phenylalanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3,4-difluoro-6-iodo-L-phenylalanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-3,4-difluoro-6-iodo-L-phénylalanine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 563.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 294.3±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 17.94
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 270.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement