ChemSpider 2D Image | Diphenylmethyl (2S)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide | C21H21NO4S

Diphenylmethyl (2S)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

  • Molecular FormulaC21H21NO4S
  • Average mass383.461 Da
  • Monoisotopic mass383.119141 Da
  • ChemSpider ID30650687

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S) 4-Oxyde de 3,3-diméthyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide, (2S)- [ACD/Index Name]
Diphenylmethyl (2S)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide [ACD/IUPAC Name]
Diphenylmethyl-(2S)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat-4-oxid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.9±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.30
ACD/KOC (pH 5.5): 541.78
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.30
ACD/KOC (pH 7.4): 541.78
Polar Surface Area: 83 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 278.5±5.0 cm3

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