ChemSpider 2D Image | 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-, (6R,7R)- | C20H20ClN7O5S4

5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-, (6R,7R)-

  • Molecular FormulaC20H20ClN7O5S4
  • Average mass602.130 Da
  • Monoisotopic mass601.009705 Da
  • ChemSpider ID8049206

  • 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-5-chlor-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-[(3-{[(2-aminoethyl)sulfanyl]methyl}-4-pyridinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-5-chloro-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-[(3-{[(2-aminoethyl)sulfanyl]methyl}-4-pyridinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-[(3-{[(2-aminoethyl)sulfanyl]methyl}pyridin-4-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)-1-oxoethyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-, (6R,7R) - [ACD/Index Name]
Acide (6R,7R)-7-{[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-(hydroxyimino)acétyl]amino}-3-[(3-{[(2-aminoéthyl)sulfanyl]méthyl}-4-pyridinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carb oxylique [French] [ACD/IUPAC Name]
(6R,7R)-7-{2-(2-Amino-5-chloro-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-[3-(2-amino-ethylsulfanylmethyl)-pyridin-4-ylsulfanyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
189448-35-9 [RN]
5-THia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-5-chloro-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-[[3-[[(2-aminoethyl)thio]methyl]-4-pyridinyl]thio]-8-oxo-, (6R,7R)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL285117/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.876
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 95.3±7.0 dyne/cm
Molar Volume: 316.9±7.0 cm3

Click to predict properties on the Chemicalize site


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