ChemSpider 2D Image | L-Threonyl-L-asparagine | C8H15N3O5

L-Threonyl-L-asparagine

  • Molecular FormulaC8H15N3O5
  • Average mass233.222 Da
  • Monoisotopic mass233.101166 Da
  • ChemSpider ID103883032

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

330601-56-4 [RN]
L-Asparagine, L-threonyl- [ACD/Index Name]
L-Threonyl-L-asparagin [German] [ACD/IUPAC Name]
L-Threonyl-L-asparagine [ACD/IUPAC Name]
L-Thréonyl-L-asparagine [French] [ACD/IUPAC Name]
(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
H-Thr-Asn-OH
L-Thr-L-Asn
thr-asn
Threonylasparagine [ACD/IUPAC Name]
More...
  • Miscellaneous

    • Chemical Class:

      A dipeptide obtained by formal condensation of the carboxy group of L-threonine with the amino group of L-asparagine. ChEBI CHEBI:157889

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

Density: 1.4±0.1 g/cm3
Boiling Point: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 378.4±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -4.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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