ChemSpider 2D Image | N-{[2-(Methylsulfanyl)-7H-purin-6-yl]carbamoyl}threonine | C11H14N6O4S

N-{[2-(Methylsulfanyl)-7H-purin-6-yl]carbamoyl}threonine

  • Molecular FormulaC11H14N6O4S
  • Average mass326.332 Da
  • Monoisotopic mass326.079712 Da
  • ChemSpider ID64884798

More details:

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

N-{[2-(Methylsulfanyl)-7H-purin-6-yl]carbamoyl}threonin [German] [ACD/IUPAC Name]
N-{[2-(Methylsulfanyl)-7H-purin-6-yl]carbamoyl}threonine [ACD/IUPAC Name]
N-{[2-(Méthylsulfanyl)-7H-purin-6-yl]carbamoyl}thréonine [French] [ACD/IUPAC Name]
Threonine, N-[[[2-(methylthio)-7H-purin-6-yl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 108.5±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

Click to predict properties on the Chemicalize site


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