Found 2 results

Search term: KEDIJSGTHCTLIW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7Z)-3-(Methoxymethyl)-8-oxo-7-(2-pyridinylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5,5-dioxide | C15H14N2O6S

(7Z)-3-(Methoxymethyl)-8-oxo-7-(2-pyridinylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5,5-dioxide

  • Molecular FormulaC15H14N2O6S
  • Average mass350.346 Da
  • Monoisotopic mass350.057251 Da
  • ChemSpider ID25064775

  • Double-bond stereo - Double-bond stereo

More details:

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

(7Z)-3-(Methoxymethyl)-8-oxo-7-(2-pyridinylmethylen)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure-5,5-dioxid [German] [ACD/IUPAC Name]
(7Z)-3-(Methoxymethyl)-8-oxo-7-(2-pyridinylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5,5-dioxide [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(methoxymethyl)-8-oxo-7-(2-pyridinylmethylene)-, 5,5-dioxide, (7Z)- [ACD/Index Name]
Acide (7Z) 5,5-dioxyde de 3-(méthoxyméthyl)-8-oxo-7-(2-pyridinylméthylène)-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1207148/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 219.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement