ChemSpider 2D Image | (6R,7R)-7-{(2-Amino-1,3-thiazol-4-yl)[(2Z)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C19H17N5O7S3

(6R,7R)-7-{(2-Amino-1,3-thiazol-4-yl)[(2Z)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC19H17N5O7S3
  • Average mass523.563 Da
  • Monoisotopic mass523.028992 Da
  • ChemSpider ID58106922

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-7-{(2-Amino-1,3-thiazol-4-yl)[(2Z)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{(2-Amino-1,3-thiazol-4-yl)[(2Z)-2-(methoxyimino)acetyl]amino}-3-[(2-furoylsulfanyl)methyl]-8-oxo-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, 7-[(2-amino-4-thiazolyl)[(2Z)-2-(methoxyimino)-1-oxoethyl]amino]-3-[[(2-furanylcarbonyl)thio]methyl]-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{(2-amino-1,3-thiazol-4-yl)[(2Z)-2-(méthoxyimino)acétyl]amino}-3-[(2-furoylsulfanyl)méthyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
80370-57-6 [RN]
Ceftiofur [Wiki]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 798.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.6±35.7 °C
Index of Refraction: 1.804
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 84.7±7.0 dyne/cm
Molar Volume: 293.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement