ChemSpider 2D Image | Benzyl (2S,5R)-3,3-dimethyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | C15H15NO4S

Benzyl (2S,5R)-3,3-dimethyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

  • Molecular FormulaC15H15NO4S
  • Average mass305.349 Da
  • Monoisotopic mass305.072174 Da
  • ChemSpider ID57525022

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-3,3-Diméthyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6,7-dioxo-, phenylmethyl ester, (2S,5R)- [ACD/Index Name]
Benzyl (2S,5R)-3,3-dimethyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate [ACD/IUPAC Name]
Benzyl-(2S,5R)-3,3-dimethyl-6,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat [German] [ACD/IUPAC Name]
39126-59-5 [RN]
benzyl-6-oxopenicillanate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 435.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 217.0±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.51
ACD/KOC (pH 5.5): 632.79
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.51
ACD/KOC (pH 7.4): 632.79
Polar Surface Area: 89 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 219.5±5.0 cm3

Click to predict properties on the Chemicalize site


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