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Search term: CUIVJALDVYFMBH-YZUZCNPQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | C24H19BrO6S

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

  • Molecular FormulaC24H19BrO6S
  • Average mass515.373 Da
  • Monoisotopic mass514.008545 Da
  • ChemSpider ID59053946

  • 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 4-bromophényle [French] [ACD/IUPAC Name]
4-Bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate [ACD/IUPAC Name]
4-Bromphenyl-(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)-, 4-bromophenyl ester, (1S,2R,4S)- [ACD/Index Name]
OBM

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

Density: 1.7±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3707.60
ACD/KOC (pH 5.5): 12483.76
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3693.98
ACD/KOC (pH 7.4): 12437.90
Polar Surface Area: 101 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 302.7±5.0 cm3

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