ChemSpider 2D Image | N-(Sulfanylacetyl)-L-threonyl-L-alpha-asparagine | C10H17N3O6S

N-(Sulfanylacetyl)-L-threonyl-L-α-asparagine

  • Molecular FormulaC10H17N3O6S
  • Average mass307.323 Da
  • Monoisotopic mass307.083801 Da
  • ChemSpider ID24678441

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-α-Asparagine, N-(2-mercaptoacetyl)-L-threonyl- [ACD/Index Name]
N-(2-Sulfanylacétyl)-L-thréonyl-L-α-asparagine [French] [ACD/IUPAC Name]
N-(Sulfanylacetyl)-L-threonyl-L-α-asparagin [German] [ACD/IUPAC Name]
N-(Sulfanylacetyl)-L-threonyl-L-α-asparagine [ACD/IUPAC 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: 786.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 429.7±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 213.6±3.0 cm3

Click to predict properties on the Chemicalize site


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