Found 1 result

Search term: HSPJOJAITKPZLI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-2-{3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,3-oxazolidin-2-yl}-3-phenylcyclopentanone | C27H27NO4S

(3R)-2-{3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,3-oxazolidin-2-yl}-3-phenylcyclopentanone

  • Molecular FormulaC27H27NO4S
  • Average mass461.573 Da
  • Monoisotopic mass461.166077 Da
  • ChemSpider ID30650151

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3R)-2-{3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,3-oxazolidin-2-yl}-3-phenylcyclopentanon [German] [ACD/IUPAC Name]
(3R)-2-{3-[(4-Methylphenyl)sulfonyl]-4-phenyl-1,3-oxazolidin-2-yl}-3-phenylcyclopentanone [ACD/IUPAC Name]
(3R)-2-{3-[(4-Méthylphényl)sulfonyl]-4-phényl-1,3-oxazolidin-2-yl}-3-phénylcyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2-[3-[(4-methylphenyl)sulfonyl]-4-phenyl-2-oxazolidinyl]-3-phenyl-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.2±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1811.40
ACD/KOC (pH 5.5): 7476.26
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1811.40
ACD/KOC (pH 7.4): 7476.26
Polar Surface Area: 72 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 361.6±3.0 cm3

Click to predict properties on the Chemicalize site


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