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ChemSpider 2D Image | D-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-L-alaninamide | C14H25N3O4S

D-α-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-L-alaninamide

  • Molecular FormulaC14H25N3O4S
  • Average mass331.431 Da
  • Monoisotopic mass331.156586 Da
  • ChemSpider ID29785829
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

D-α-Asparagyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-L-alaninamid [German] [ACD/IUPAC Name]
D-α-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-L-alaninamide [ACD/IUPAC Name]
D-α-Aspartyl-N-(2,2,4,4-tétraméthyl-3-thiétanyl)-L-alaninamide [French] [ACD/IUPAC Name]
L-Alaninamide, D-α-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)- [ACD/Index Name]
86029-27-8 [RN]
D-Alaninamide, L-ß-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 608.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 98.7±6.0 kJ/mol
Flash Point: 321.8±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 85.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site






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