ChemSpider 2D Image | (5R,8R,9S)-8,9-Bis[(4-methoxybenzyl)oxy]-2,4,10-trioxatricyclo[3.3.1.1~3,7~]decan-6-ol | C23H26O8

(5R,8R,9S)-8,9-Bis[(4-methoxybenzyl)oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol

  • Molecular FormulaC23H26O8
  • Average mass430.448 Da
  • Monoisotopic mass430.162781 Da
  • ChemSpider ID24604632

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5R,8R,9S)-8,9-Bis[(4-methoxybenzyl)oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol [ACD/IUPAC Name]
(5R,8R,9S)-8,9-Bis[(4-methoxybenzyl)oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol [German] [ACD/IUPAC Name]
(5R,8R,9S)-8,9-Bis[(4-méthoxybenzyl)oxy]-2,4,10-trioxatricyclo[3.3.1.13,7]décan-6-ol [French] [ACD/IUPAC Name]
2,4,10-Trioxatricyclo[3.3.1.13,7]decan-6-ol, 8,9-bis[(4-methoxyphenyl)methoxy]-, (5R,8R,9S)- [ACD/Index Name]
4,6-Di-O-(4-methoxybenzyl)-myo-inositol 1,3,5-orthoformate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1755.52
ACD/KOC (pH 5.5): 7310.42
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1755.50
ACD/KOC (pH 7.4): 7310.37
Polar Surface Area: 85 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

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