ChemSpider 2D Image | 6-[Hydroxy(phenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | C15H17NO6S

6-[Hydroxy(phenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide

  • Molecular FormulaC15H17NO6S
  • Average mass339.364 Da
  • Monoisotopic mass339.077667 Da
  • ChemSpider ID26502892

More details:

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

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-(hydroxyphenylmethyl)-3,3-dimethyl-7-oxo-, 4,4-dioxide [ACD/Index Name]
6-[Hydroxy(phenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure-4,4-dioxid [German] [ACD/IUPAC Name]
6-[Hydroxy(phenyl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide [ACD/IUPAC Name]
Acide 4,4-dioxyde de 6-[hydroxy(phényl)méthyl]-3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-6-(HYDROXY-PHENYL-METHYL)-3,3-DIMETHYL-4,4,7-TRIOXO-4λ6-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
82946-66-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 667.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 357.7±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -2.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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