ChemSpider 2D Image | Ulfaret | C22H20N4O8S2

Ulfaret

  • Molecular FormulaC22H20N4O8S2
  • Average mass532.546 Da
  • Monoisotopic mass532.072266 Da
  • ChemSpider ID4447588

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)méthyl]-8-oxo-7-[(2-phényl-2-sulfoacétyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)methyl]-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-3-[(4-Carbamoyl-1-pyridiniumyl)methyl]-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-3-[(4-Carbamoylpyridinium-1-yl)methyl]-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-{[4-(aminocarbonyl)pyridinium-1-yl]methyl}-8-oxo-7-{[phenyl(sulfo)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
[6R-[6a,7b(R*)]]-4-(Aminocarbonyl)-1-[[2-carboxy-8-oxo-7-[(phenylsulfoacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium Hydroxide Inner Salt
257-692-4 [EINECS]
4-(Aminocarbonyl)-1-[[(6R,7R)-2-carboxy-8-oxo-7-[[(2R)-phenylsulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium Inner Salt
7-(a-Sulphophenylacetamido)-3-(4'-carbamoylpyridinium)methyl-3-cephem-4-carboxylic Acid
Cefomonil
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SCE 129 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.25
ACD/LogD (pH 5.5): -6.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 225 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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