ChemSpider 2D Image | (6R,7R)-7-{[(2-Amino-1,3-thiazol-4-yl)(formamido)acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C16H15N7O5S4

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

  • Molecular FormulaC16H15N7O5S4
  • Average mass513.594 Da
  • Monoisotopic mass513.001770 Da
  • ChemSpider ID2300464

  • defined stereocentres - 2 of 3 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)(formamido)acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-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)(formamido)acetyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)methyl]-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-(formylamino)acetyl]amino]-8-oxo-3-[(1,2,3-thiadiazol-5-ylthio)methyl]-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[2-(2-amino-1,3-thiazol-4-yl)-2-formamidoacétyl]amino}-8-oxo-3-[(1,2,3-thiadiazol-5-ylsulfanyl)méthyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
(6R-(6α,7β(S*)))-7-(((2-Amino-4-triazolyl)(formylamino)acetyl)amino)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-triazolyl)(formylamino)acetyl)amino)-8-oxo-3-((1,2,3-thiadiazol-5-ylthio)methyl)-, (6R-(6α,7β(S*)))-
7-B((2,5)-2-(2-Aminothiazol-4-yl)-2,4-formamido-acetamido)-3-((1,2,3-thiadiazol-5-yl-thiomethyl))-3-cephem-4-carboxylic acid
94714-78-0 [RN]
94788-68-8 [RN]
Cgp 31523A
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.794
Molar Refractivity: 120.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.11
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): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 124.8±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


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