ChemSpider 2D Image | (6R)-7-{[(2E)-4-Carboxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C15H14N4O6S2

(6R)-7-{[(2E)-4-Carboxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC15H14N4O6S2
  • Average mass410.425 Da
  • Monoisotopic mass410.035461 Da
  • ChemSpider ID68026151

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(6R)-7-{[(2E)-4-Carboxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-butenoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R)-7-{[(2E)-4-Carboxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-butenoyl]amino}-8-oxo-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-[[(2E)-4-carboxy-2-(2,3-dihydro-2-imino-4-thiazolyl)-1-oxo-2-buten-1-yl]amino]-8-oxo-, (6R)- [ACD/Index Name]
Acide (6R)-7-{[(2E)-4-carboxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-butenoyl]amino}-8-oxo-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: 1.841
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 96.0±7.0 dyne/cm
Molar Volume: 218.2±7.0 cm3

Click to predict properties on the Chemicalize site


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