ChemSpider 2D Image | (1R,2R,5R,7R,8R,9S)-7,9-Bis(benzyloxy)-2-(~2~H_5_)phenyl(2,8-~2~H_2_)-3,6-dioxabicyclo[3.2.2]nonane | C27H21D7O4

(1R,2R,5R,7R,8R,9S)-7,9-Bis(benzyloxy)-2-(2H5)phenyl(2,8-2H2)-3,6-dioxabicyclo[3.2.2]nonane

  • Molecular FormulaC27H21D7O4
  • Average mass423.552 Da
  • Monoisotopic mass423.242706 Da
  • ChemSpider ID8868935

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,5R,7R,8R,9S)-7,9-Bis(benzyloxy)-2-(2H5)phenyl(2,8-2H2)-3,6-dioxabicyclo[3.2.2]nonan [German] [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,9S)-7,9-Bis(benzyloxy)-2-(2H5)phenyl(2,8-2H2)-3,6-dioxabicyclo[3.2.2]nonane [ACD/IUPAC Name]
(1R,2R,5R,7R,8R,9S)-7,9-Bis(benzyloxy)-2-(2H5)phényl(2,8-2H2)-3,6-dioxabicyclo[3.2.2]nonane [French] [ACD/IUPAC Name]
3,6-Dioxabicyclo[3.2.2]nonane-2,8-d2, 2-(phenyl-d5)-7,9-bis(phenylmethoxy)-, (1R,2R,5R,7R,8R,9S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 139.6±36.9 °C
Index of Refraction: 1.614
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8727.21
ACD/KOC (pH 5.5): 23039.27
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8727.21
ACD/KOC (pH 7.4): 23039.27
Polar Surface Area: 37 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 346.0±5.0 cm3

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