ChemSpider 2D Image | (6R,7R)-3-{3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-amino-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C20H25FN8O6S2

(6R,7R)-3-{3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-amino-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC20H25FN8O6S2
  • Average mass556.591 Da
  • Monoisotopic mass556.132263 Da
  • ChemSpider ID57579423
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(6R,7R)-3-{3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-amino-1,2,4-thiadiazol-3-yl)[(fluormethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-3-{3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(5-amino-1,2,4-thiadiazol-3-yl)[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-3-{3-[(2-Amino-2-oxoéthyl)(éthyl)méthylammonio]-1-propén-1-yl}-7-({2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluorométhoxy)imino]acétyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxyla te [French] [ACD/IUPAC Name]
2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[(6R,7R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-met hyl-, inner salt [ACD/Index Name]
116853-25-9 [RN]
cefluprenam [INN] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.30
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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