ChemSpider 2D Image | (2S)-2-Hydroxy-2-{[(3R)-3-hydroxy-3-oxaziridinyl]methyl}succinic acid | C6H9NO7

(2S)-2-Hydroxy-2-{[(3R)-3-hydroxy-3-oxaziridinyl]methyl}succinic acid

  • Molecular FormulaC6H9NO7
  • Average mass207.138 Da
  • Monoisotopic mass207.037903 Da
  • ChemSpider ID61713380

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Hydroxy-2-{[(3R)-3-hydroxy-3-oxaziridinyl]methyl}bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-Hydroxy-2-{[(3R)-3-hydroxy-3-oxaziridinyl]methyl}succinic acid [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-2-{[(3R)-3-hydroxy-3-oxaziridinyl]méthyl}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-hydroxy-2-[[(3R)-3-hydroxy-3-oxaziridinyl]methyl]-, (2S)- [ACD/Index Name]
FLC

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

Density: 1.9±0.1 g/cm3
Boiling Point: 424.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 210.4±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -4.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 126.2±3.0 dyne/cm
Molar Volume: 109.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement