ChemSpider 2D Image | (2R,2'R,5R,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis(2S)-2-hydroxy-2,1-ethanediyl bis(4-nitrobenzoate) | C26H28N2O12

(2R,2'R,5R,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis(2S)-2-hydroxy-2,1-ethanediyl bis(4-nitrobenzoate)

  • Molecular FormulaC26H28N2O12
  • Average mass560.507 Da
  • Monoisotopic mass560.164246 Da
  • ChemSpider ID8500938

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R,5R,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis(2S)-2-hydroxy-2,1-ethandiyl-bis(4-nitrobenzoat) [German] [ACD/IUPAC Name]
(2R,2'R,5R,5'R)-Octahydro-2,2'-bifuran-5,5'-diylbis(2S)-2-hydroxy-2,1-ethanediyl bis(4-nitrobenzoate) [ACD/IUPAC Name]
Bis(4-nitrobenzoate) de (2R,2'R,5R,5'R)-octahydro-2,2'-bifurane-5,5'-diylbis(2S)-2-hydroxy-2,1-éthanediyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 135.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.74
ACD/KOC (pH 5.5): 578.52
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.74
ACD/KOC (pH 7.4): 578.51
Polar Surface Area: 203 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 387.6±3.0 cm3

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