ChemSpider 2D Image | Alitame anhydrous | C14H25N3O4S

Alitame anhydrous

  • Molecular FormulaC14H25N3O4S
  • Average mass331.431 Da
  • Monoisotopic mass331.156586 Da
  • ChemSpider ID13996684

More details:






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

Alaninamide, α-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)- [ACD/Index Name]
Alitame anhydrous
α-Asparagyl-N-(2,2,4,4-tetramethyl-3-thietanyl)alaninamid [German] [ACD/IUPAC Name]
α-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)alaninamide [ACD/IUPAC Name]
α-Aspartyl-N-(2,2,4,4-tétraméthyl-3-thiétanyl)alaninamide [French] [ACD/IUPAC Name]
α-aspartyl-N-(2,2,4,4-tetramethylthietan-3-yl)alaninamide
(S)-3-Amino-4-oxo-4-(((R)-1-oxo-1-((2,2,4,4-tetramethylthietan-3-yl)amino)propan-2-yl)amino)butanoic acid
3-amino-3-({1-[(2,2,4,4-tetramethylthietan-3-yl)carbamoyl]ethyl}carbamoyl)propanoic acid
3-Amino-N-[1-(2,2,4,4-tetramethyl-thietan-3-ylcarbamoyl)-ethyl]-succinamic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CP 54802 [DBID]

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

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