Found 1 result

Search term: XRYOAXYWMLONJO-YZUZCNPQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-Fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | C24H19FO6S

2-Fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

  • Molecular FormulaC24H19FO6S
  • Average mass454.467 Da
  • Monoisotopic mass454.088623 Da
  • ChemSpider ID59053944

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,4S)-5,6-Bis(4-hydroxyphényl)-7-oxabicyclo[2.2.1]hept-5-ène-2-sulfonate de 2-fluorophényle [French] [ACD/IUPAC Name]
2-Fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate [ACD/IUPAC Name]
2-Fluorphenyl-(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-sulfonat [German] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-5-ene-2-sulfonic acid, 5,6-bis(4-hydroxyphenyl)-, 2-fluorophenyl ester, (1S,2R,4S)- [ACD/Index Name]
OBC

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 364.5±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 750.38
ACD/KOC (pH 5.5): 3978.52
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 747.62
ACD/KOC (pH 7.4): 3963.90
Polar Surface Area: 101 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 294.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement