ChemSpider 2D Image | Methylenebis{[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-2,4-diyl]methylene} dimethanesulfonate | C23H26N2O8S2

Methylenebis{[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-2,4-diyl]methylene} dimethanesulfonate

  • Molecular FormulaC23H26N2O8S2
  • Average mass522.591 Da
  • Monoisotopic mass522.113037 Da
  • ChemSpider ID8872686

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Oxazolemethanol, 2,2'-methylenebis[4,5-dihydro-5-phenyl-, dimethanesulfonate (ester), (4S,5S)- [ACD/Index Name]
Diméthanesulfonate de méthylènebis{[(4S,5S)-5-phényl-4,5-dihydro-1,3-oxazole-2,4-diyl]méthylène} [French] [ACD/IUPAC Name]
Methylenbis{[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazol-2,4-diyl]methylen}-dimethansulfonat [German] [ACD/IUPAC Name]
Methylenebis{[(4S,5S)-5-phenyl-4,5-dihydro-1,3-oxazole-2,4-diyl]methylene} dimethanesulfonate [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: 733.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.65
ACD/KOC (pH 5.5): 324.07
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.83
ACD/KOC (pH 7.4): 326.65
Polar Surface Area: 147 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 362.6±7.0 cm3

Click to predict properties on the Chemicalize site


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