ChemSpider 2D Image | (6S)-3-{(1E)-3-[Ethyl(2-hydroxy-2-iminoethyl)methylammonio]-1-propen-1-yl}-7-{[(2E)-2-[(fluoromethoxy)imino]-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]
oct-2-ene-2-carboxylate | C20H25FN8O6S2

(6S)-3-{(1E)-3-[Ethyl(2-hydroxy-2-iminoethyl)methylammonio]-1-propen-1-yl}-7-{[(2E)-2-[(fluoromethoxy)imino]-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)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 ID68027067
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(6S)-3-{(1E)-3-[Ethyl(2-hydroxy-2-iminoethyl)methylammonio]-1-propen-1-yl}-7-{[(2E)-2-[(fluormethoxy)imino]-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]o ct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6S)-3-{(1E)-3-[Ethyl(2-hydroxy-2-iminoethyl)methylammonio]-1-propen-1-yl}-7-{[(2E)-2-[(fluoromethoxy)imino]-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0] oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6S)-3-{(1E)-3-[Éthyl(2-hydroxy-2-iminoéthyl)méthylammonio]-1-propén-1-yl}-7-{[(2E)-2-[(fluorométhoxy)imino]-2-(5-imino-2,5-dihydro-1,2,4-thiadiazol-3-yl)acétyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0] oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
2-Propen-1-aminium, 3-[(6S)-2-carboxy-7-[[(2E)-2-(2,5-dihydro-5-imino-1,2,4-thiadiazol-3-yl)-2-[(fluoromethoxy)imino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-N-ethyl-N-(2-hydr oxy-2-iminoethyl)-N-methyl-, inner salt, (2E)- [ACD/Index Name]
cefluprenam [INN] [Wiki]

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

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: -5.91
ACD/LogD (pH 5.5): -5.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability:
Surface Tension:
Molar Volume:

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