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Search term: XVQYRDCVALFDQH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | i-Bu | C26H25NO6S2

i-Bu

  • Molecular FormulaC26H25NO6S2
  • Average mass511.610 Da
  • Monoisotopic mass511.112335 Da
  • ChemSpider ID24775507

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-[2,2-Bis(phenylsulfonyl)ethyl]-4-isopropyl-2-phenyl-1,3-oxazol-5(4H)-on [German] [ACD/IUPAC Name]
(4S)-4-[2,2-Bis(phenylsulfonyl)ethyl]-4-isopropyl-2-phenyl-1,3-oxazol-5(4H)-one [ACD/IUPAC Name]
(4S)-4-[2,2-Bis(phénylsulfonyl)éthyl]-4-isopropyl-2-phényl-1,3-oxazol-5(4H)-one [French] [ACD/IUPAC Name]
5(4H)-Oxazolone, 4-[2,2-bis(phenylsulfonyl)ethyl]-4-(1-methylethyl)-2-phenyl-, (4S)- [ACD/Index Name]
i-Bu

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.06
ACD/KOC (pH 5.5): 2454.02
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 382.11
ACD/KOC (pH 7.4): 2454.33
Polar Surface Area: 124 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 389.3±7.0 cm3

Click to predict properties on the Chemicalize site


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