ChemSpider 2D Image | (6R,7R)-7-{[(Z)-2-(2-Amino-1,3-thiazol-4-yl)-1-hydroxy-2-nitrosovinyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C14H13N5O5S2

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

  • Molecular FormulaC14H13N5O5S2
  • Average mass395.414 Da
  • Monoisotopic mass395.035797 Da
  • ChemSpider ID28424154

  • 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-{[(Z)-2-(2-Amino-1,3-thiazol-4-yl)-1-hydroxy-2-nitrosovinyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(Z)-2-(2-Amino-1,3-thiazol-4-yl)-1-hydroxy-2-nitrosovinyl]amino}-8-oxo-3-vinyl-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-[[(Z)-2-(2-amino-4-thiazolyl)-1-hydroxy-2-nitrosoethenyl]amino]-3-ethenyl-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[(Z)-2-(2-amino-1,3-thiazol-4-yl)-1-hydroxy-2-nitrosovinyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Cefdinir [INN] [JP15] [USAN] [Wiki]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 778.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.5±35.7 °C
Index of Refraction: 1.862
Molar Refractivity: 94.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.52
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 94.7±7.0 dyne/cm
Molar Volume: 208.7±7.0 cm3

Click to predict properties on the Chemicalize site


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