ChemSpider 2D Image | (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-3-cyclohexyl-2-propenoyl]amino}-3-({[1-(methylamino)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C26H30N6O4S3

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-3-cyclohexyl-2-propenoyl]amino}-3-({[1-(methylamino)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC26H30N6O4S3
  • Average mass586.749 Da
  • Monoisotopic mass586.149048 Da
  • ChemSpider ID8501482
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-3-cyclohexyl-2-propenoyl]amino}-3-({[1-(methylamino)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-3-cyclohexyl-2-propenoyl]amino}-3-({[1-(methylamino)-4-pyridiniumyl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-3-cyclohexyl-2-propenoyl]amino}-3-({[1-(méthylamino)-4-pyridiniumyl]sulfanyl}méthyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
Pyridinium, 4-[[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-3-cyclohexyl-1-oxo-2-propen-1-yl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-1-(methylamino)-, inner salt [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 223 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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