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Search term: ZTJRRQPXOMIKLP-NTSWFWBYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(Propylsulfonyl)-D-threonine | C7H15NO5S

N-(Propylsulfonyl)-D-threonine

  • Molecular FormulaC7H15NO5S
  • Average mass225.263 Da
  • Monoisotopic mass225.067093 Da
  • ChemSpider ID59051483

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Threonine, N-(propylsulfonyl)- [ACD/Index Name]
N-(Propylsulfonyl)-D-threonin [German] [ACD/IUPAC Name]
N-(Propylsulfonyl)-D-threonine [ACD/IUPAC Name]
N-(Propylsulfonyl)-D-thréonine [French] [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: 418.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 206.8±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 50.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 166.8±3.0 cm3

Click to predict properties on the Chemicalize site


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