ChemSpider 2D Image | Cefazolin-13C2,15N | C1213C2H14N715NO4S3

Cefazolin-13C2,15N

  • Molecular FormulaC1213C2H14N715NO4S3
  • Average mass457.486 Da
  • Monoisotopic mass457.033752 Da
  • ChemSpider ID68004065

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({2-[(1-15N)-1H-tetrazol-1-yl](13C2)ethanoyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-3-{[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({2-[(1-15N)-1H-tetrazol-1-yl](13C2)ethanoyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
2101505-58-0 [RN]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-[[1-oxo-2-(1H-tetrazol-1-yl-1-15N)ethyl-1,2-13C2]amino]-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-3-{[(5-méthyl-1,3,4-thiadiazol-2-yl)sulfanyl]méthyl}-8-oxo-7-({2-[(1-15N)-1H-tétrazol-1-yl](13C2)éthanoyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Cefazolin-13C2,15N
(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-((115N)tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-(2-(1H-tetrazol-1-yl-1-15N)acetamido-13C2-13C2)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-(2-(1H-Tetrazol-1-yl-1-15N)acetamido-13C2-13C2)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.961
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 107.7±7.0 dyne/cm
Molar Volume: 225.4±7.0 cm3

Click to predict properties on the Chemicalize site


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