ChemSpider 2D Image | D-Threonyl-L-threonine | C8H16N2O5

D-Threonyl-L-threonine

  • Molecular FormulaC8H16N2O5
  • Average mass220.223 Da
  • Monoisotopic mass220.105927 Da
  • ChemSpider ID62639147

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R)-2-{[(2R,3S)-2-Ammonio-3-hydroxybutanoyl]amino}-3-hydroxybutanoat [German] [ACD/IUPAC Name]
(2S,3R)-2-{[(2R,3S)-2-Ammonio-3-hydroxybutanoyl]amino}-3-hydroxybutanoate [ACD/IUPAC Name]
(2S,3R)-2-{[(2R,3S)-2-Ammonio-3-hydroxybutanoyl]amino}-3-hydroxybutanoate [French] [ACD/IUPAC Name]
2-Butanaminium, 1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxo-, inner salt, (2R,3S)- [ACD/Index Name]
D-Threonyl-L-threonin [German] [ACD/IUPAC Name]
D-Threonyl-L-threonine [ACD/IUPAC Name]
D-Thréonyl-L-thréonine [French] [ACD/IUPAC Name]
L-Threonine, D-threonyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.4±6.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 50.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.94
ACD/LogD (pH 5.5): -4.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 161.3±3.0 cm3

Click to predict properties on the Chemicalize site


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