ChemSpider 2D Image | N-(2-Aminobutanoyl)-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]-L-threonine | C11H19N3O6

N-(2-Aminobutanoyl)-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]-L-threonine

  • Molecular FormulaC11H19N3O6
  • Average mass289.285 Da
  • Monoisotopic mass289.127380 Da
  • ChemSpider ID88298589

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Azetidinebutanoic acid, α-[(2-amino-1-oxobutyl)amino]-β,3-dihydroxy-2-oxo-, (αS,βR,3S)- [ACD/Index Name]
N-(2-Aminobutanoyl)-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]-L-threonin [German] [ACD/IUPAC Name]
N-(2-Aminobutanoyl)-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]-L-threonine [ACD/IUPAC Name]
N-(2-Aminobutanoyl)-4-[(3S)-3-hydroxy-2-oxo-3-azétidinyl]-L-thréonine [French] [ACD/IUPAC Name]
40957-90-2 [RN]
Tabtoxin [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 66.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -5.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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