ChemSpider 2D Image | (6S,7R)-7-{[(2E)-2-(2-Furyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-{[hydroxy(imino)methoxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C16H16N4O8S

(6S,7R)-7-{[(2E)-2-(2-Furyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-{[hydroxy(imino)methoxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC16H16N4O8S
  • Average mass424.385 Da
  • Monoisotopic mass424.068878 Da
  • ChemSpider ID57643435

  • 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

(6S,7R)-7-{[(2E)-2-(2-Furyl)-1-hydroxy-2-(methoxyimino)ethyliden]amino}-3-{[hydroxy(imino)methoxy]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6S,7R)-7-{[(2E)-2-(2-Furyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino}-3-{[hydroxy(imino)methoxy]methyl}-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)-2-(2-furanyl)-1-hydroxy-2-(methoxyimino)ethylidene]amino]-3-[(hydroxyiminomethoxy)methyl]-8-oxo-, (6S,7R)- [ACD/Index Name]
Acide (6S,7R)-7-{[(2E)-2-(2-furyl)-1-hydroxy-2-(méthoxyimino)éthylidène]amino}-3-{[hydroxy(imino)méthoxy]méthyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
(6S,7R)-3-(Carbamoyloxymethyl)-7-[[(2E)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
55268-75-2 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 731.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.3±35.7 °C
Index of Refraction: 1.735
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 78.1±7.0 dyne/cm
Molar Volume: 241.0±7.0 cm3

Click to predict properties on the Chemicalize site


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