ChemSpider 2D Image | cefluprenam | C20H25FN8O6S2

cefluprenam

  • Molecular FormulaC20H25FN8O6S2
  • Average mass556.591 Da
  • Monoisotopic mass556.132263 Da
  • ChemSpider ID5020189

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Antibiotic E 1077
cefluprenam [INN] [Wiki]
(6R,7R)-3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluormethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-c arboxylat [German] [ACD/IUPAC Name]
(6R,7R)-3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]-1-propen-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylate [ACD/IUPAC Name]
(6R,7R)-3-{(1E)-3-[(2-Amino-2-oxoéthyl)(éthyl)méthylammonio]-1-propén-1-yl}-7-({(2Z)-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 -carboxylate [French] [ACD/IUPAC Name]
(6R,7R)-3-{(1E)-3-[(2-Amino-2-oxoethyl)(ethyl)methylammonio]prop-1-en-1-yl}-7-({(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
116853-25-9 [RN]
2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-e thyl-N-methyl-, inner salt, (2E)- [ACD/Index Name]
2-propen-1-aminium, N-(2-amino-2-oxoethyl)-3-[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-methyl-, inner salt, (2E)-
(-)-((E)-3-((6R,7R)-7-(2-(5-Amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo (4.2.0)oct-2-en-3-yl)allyl)(carbamoylmethyl)ethylmethylammonium hydroxide, inner salt, 7(sup 2)-(Z)-(O-(fluoromethyl)oxime)
More...

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

098633Q42P [DBID]
7245 [DBID]
UNII:098633Q42P [DBID]
D01054 [DBID]
E 1077 [DBID]
E-1077 [DBID]
  • Miscellaneous

    • Chemical Class:

      A fourth-generation cephalosporin antibiotic having (1E)-3-[(2-amino-2-oxoethyl)(ethyl)methylazaniumyl]prop-1-en-1-yl and {(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]acetyl}amino s ide groups located at positions 3 and 7 respectively. ChEBI CHEBI:3488

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: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -5.30
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.80
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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