ChemSpider 2D Image | (6R,7R)-7-{[(2-Amino-1,3-thiazol-4-yl)(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C15H14N8O5S4

(6R,7R)-7-{[(2-Amino-1,3-thiazol-4-yl)(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC15H14N8O5S4
  • Average mass514.582 Da
  • Monoisotopic mass513.997009 Da
  • ChemSpider ID57579258

  • 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)(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-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)(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-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-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[[(1H-1,2,3-triazol-5-ylthio)methyl]thio]-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acétyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)méthyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
140128-74-1 [RN]
Cefmatilen [INN] [Wiki]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.015
Molar Refractivity: 121.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 304 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 123.7±7.0 dyne/cm
Molar Volume: 240.0±7.0 cm3

Click to predict properties on the Chemicalize site


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