ChemSpider 2D Image | (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydro-1-quinoliniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C23H24N6O5S2

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydro-1-quinoliniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC23H24N6O5S2
  • Average mass528.604 Da
  • Monoisotopic mass528.124939 Da
  • ChemSpider ID7845550

  • 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-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydro-1-chinoliniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-8-oxo-3-(5,6,7,8-tétrahydro-1-quinoléiniumylméthyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-(5,6,7,8-tetrahydro-1-quinoliniumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Quinolinium, 1-[[(6R,7R)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-5,6,7,8-tetrahydro-, inner salt [ACD/Index Name]
(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1-(((6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5,6,7,8-tetrahydroquinolinium hydroxide, inner salt, 7(sup 2)-(Z)-(O-methyloxime)
7-[(2E)-2-(2-amino(1,3-thiazol-4-yl))-3-methoxy-3-azaprop-2-enoylamino](7R,7aR)-6-oxo-3-(5,6,7,8-tetrahydroquinolylmethyl)-2H,7H-azetidino[2,1-b]1,3-thiazine-4-carboxylic acid
Cefquinoma [Spanish]
Cefquinome [Wiki]
Cefquinomum [Latin]

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: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.45
Polar Surface Area: 207 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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