ChemSpider 2D Image | (5R,6S)-6-[(1S)-1-Hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | C8H9NO4S

(5R,6S)-6-[(1S)-1-Hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC8H9NO4S
  • Average mass215.226 Da
  • Monoisotopic mass215.025223 Da
  • ChemSpider ID61397466

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S)-6-[(1S)-1-Hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(5R,6S)-6-[(1S)-1-Hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1S)-1-hydroxyethyl]-7-oxo-, (5R,6S)- [ACD/Index Name]
Acide (5R,6S)-6-[(1S)-1-hydroxyéthyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
73845-25-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.4±6.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.702
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 128.6±5.0 cm3

Click to predict properties on the Chemicalize site


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