ChemSpider 2D Image | (2S)-2-Amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoic acid | C5H13N2O6PS

(2S)-2-Amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoic acid

  • Molecular FormulaC5H13N2O6PS
  • Average mass260.205 Da
  • Monoisotopic mass260.023193 Da
  • ChemSpider ID59053969

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(S-methyl-N-phosphonosulfonimidoyl)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-(S-méthyl-N-phosphonosulfonimidoyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)-, (2S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 571.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 299.7±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 50.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.40
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 168 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 90.4±7.0 dyne/cm
Molar Volume: 143.6±7.0 cm3

Click to predict properties on the Chemicalize site


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