ChemSpider 2D Image | (7E)-3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C26H26N4O6S3

(7E)-3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC26H26N4O6S3
  • Average mass586.703 Da
  • Monoisotopic mass586.101440 Da
  • ChemSpider ID95556575

  • Double-bond stereo - Double-bond stereo

More details:

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

(7E)-3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(7E)-3-[({[5-(Dimethylamino)-1-naphthyl]sulfonyl}amino)methyl]-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thienyl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]methyl]-8-hydroxy-7-[[(Z)-1-hydroxy-2-(2-thienyl)ethenyl]imino]-, (7E)- [ACD/Index Name]
Acide (7E)-3-[({[5-(diméthylamino)-1-naphtyl]sulfonyl}amino)méthyl]-8-hydroxy-7-{[(Z)-1-hydroxy-2-(2-thiényl)vinyl]imino}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 866.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 478.1±37.1 °C
Index of Refraction: 1.744
Molar Refractivity: 152.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 29.23
ACD/KOC (pH 5.5): 178.93
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 205 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 68.3±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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