ChemSpider 2D Image | Tabtoxinine .beta.-lactam | C7H12N2O4

Tabtoxinine β-lactam

  • Molecular FormulaC7H12N2O4
  • Average mass188.181 Da
  • Monoisotopic mass188.079712 Da
  • ChemSpider ID24751854
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(2S)-2-Amino-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[(3S)-3-hydroxy-2-oxo-3-azetidinyl]butansäure [German] [ACD/IUPAC Name]
3-Azetidinebutanoic acid, α-amino-3-hydroxy-2-oxo-, (αS,3S)- [ACD/Index Name]
Acide (2S)-2-amino-4-[(3S)-3-hydroxy-2-oxo-3-azétidinyl]butanoïque [French] [ACD/IUPAC Name]
Tabtoxinine β-lactam [Wiki]
()-tabtoxinine-b-lactam
tabtoxinine-b-lactam

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

Density: 1.5±0.1 g/cm3
Boiling Point: 525.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.4±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -5.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 128.2±3.0 cm3

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