ChemSpider 2D Image | Phenylalanyl-3-(2H-thiopyran-3-yl)alanine | C17H20N2O3S

Phenylalanyl-3-(2H-thiopyran-3-yl)alanine

  • Molecular FormulaC17H20N2O3S
  • Average mass332.417 Da
  • Monoisotopic mass332.119476 Da
  • ChemSpider ID28716132

More details:

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

Alanine, phenylalanyl-3-(2H-thiopyran-3-yl)- [ACD/Index Name]
Phenylalanyl-3-(2H-thiopyran-3-yl)alanin [German] [ACD/IUPAC Name]
Phenylalanyl-3-(2H-thiopyran-3-yl)alanine [ACD/IUPAC Name]
Phénylalanyl-3-(2H-thiopyrane-3-yl)alanine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.1±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 259.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement