ChemSpider 2D Image | (6R,7R)-7-{[(2Z)-2-[2-(~15~N)Amino(2-~13~C,~15~N)-1,3-thiazol-4-yl]-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C1313CH13N315N2O5S2

(6R,7R)-7-{[(2Z)-2-[2-(15N)Amino(2-13C,15N)-1,3-thiazol-4-yl]-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC1313CH13N315N2O5S2
  • Average mass398.393 Da
  • Monoisotopic mass398.033234 Da
  • ChemSpider ID58779701

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6R,7R)-7-{[(2Z)-2-[2-(15N)Amino(2-13C,15N)-1,3-thiazol-4-yl]-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-[2-(15N)Amino(2-13C,15N)-1,3-thiazol-4-yl]-2-(hydroxyimino)acetyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-[2-(amino-15N)-4-thiazolyl-2-13C-3-15N]-2-(hydroxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[(2Z)-2-[2-(15N)amino(2-13C,15N)-1,3-thiazol-4-yl]-2-(hydroxyimino)acétyl]amino}-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]

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: 1.862
Molar Refractivity: 94.1±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#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:
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 94.7±7.0 dyne/cm
Molar Volume: 208.7±7.0 cm3

Click to predict properties on the Chemicalize site


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