ChemSpider 2D Image | Threonylglycine | C6H12N2O4

Threonylglycine

  • Molecular FormulaC6H12N2O4
  • Average mass176.171 Da
  • Monoisotopic mass176.079712 Da
  • ChemSpider ID31043902
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Glycine, threonyl- [ACD/Index Name]
Threonylglycin [German] [ACD/IUPAC Name]
Threonylglycine [ACD/IUPAC Name]
Thréonylglycine [French] [ACD/IUPAC Name]
686-44-2 [RN]
H-THR-GLY-OH

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 280.6±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -4.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 130.1±3.0 cm3

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