ChemSpider 2D Image | N~2~-{[5-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}-L-glutamine | C11H13ClN4O4S

N2-{[5-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}-L-glutamine

  • Molecular FormulaC11H13ClN4O4S
  • Average mass332.763 Da
  • Monoisotopic mass332.034607 Da
  • ChemSpider ID71185765

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Glutamine, N2-[[5-chloro-2-(methylthio)-4-pyrimidinyl]carbonyl]- [ACD/Index Name]
N2-{[5-Chlor-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}-L-glutamin [German] [ACD/IUPAC Name]
N2-{[5-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]carbonyl}-L-glutamine [ACD/IUPAC Name]
N2-{[5-Chloro-2-(méthylsulfanyl)-4-pyrimidinyl]carbonyl}-L-glutamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 714.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.01
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 83.0±5.0 dyne/cm
Molar Volume: 215.9±5.0 cm3

Click to predict properties on the Chemicalize site


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