ChemSpider 2D Image | (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[phenyl(sulfonato)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | C16H16N2O7S2

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[phenyl(sulfonato)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • Molecular FormulaC16H16N2O7S2
  • Average mass412.439 Da
  • Monoisotopic mass412.040985 Da
  • ChemSpider ID23089874

  • Charge - Charge

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-3,3-Diméthyl-7-oxo-6-[(2-phényl-2-sulfonatoacétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [French] [ACD/IUPAC Name]
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[phenyl(sulfonato)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat [German] [ACD/IUPAC Name]
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-{[phenyl(sulfonato)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfoacetyl)amino]-, ion(2-), (2S,5R,6R)- [ACD/Index Name]
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[phenyl(sulfo)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
6β-[phenyl(sulfonato)acetamido]-2,2-dimethylpenam-3α-carboxylate
sulbenicillin(2-)

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

5396701 [DBID]

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: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

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