Found 1 result

Search term: CCOC(=O)[C@H]1[C@@H]2O[C@H]([C@H]1C(=O)OCC)C(=C2c1ccc(O)cc1)c1ccc(O)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Diethyl (1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | C24H24O7

Diethyl (1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

  • Molecular FormulaC24H24O7
  • Average mass424.443 Da
  • Monoisotopic mass424.152191 Da
  • ChemSpider ID25060717

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3R,4S)-5,6-Bis(4-hydroxyphényl)-7-oxabicyclo[2.2.1]hept-5-ène-2,3-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
7-Oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 5,6-bis(4-hydroxyphenyl)-, diethyl ester, (1R,2S,3R,4S)- [ACD/Index Name]
Diethyl (1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate [ACD/IUPAC Name]
Diethyl-(1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2,3-dicarboxylat [German] [ACD/IUPAC Name]
2,3-diethyl (1R,2S,3R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
2,3-diethyl (1S,2R,3S,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
ODE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 205.5±23.6 °C
Index of Refraction: 1.611
Molar Refractivity: 110.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.42
ACD/KOC (pH 5.5): 3662.42
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 665.97
ACD/KOC (pH 7.4): 3648.97
Polar Surface Area: 102 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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