ChemSpider 2D Image | (2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)-5,6-Bis(benzyloxy)-2,3,8,9-tetramethoxy-2,3,8,9-tetramethyldecahydro[1,4]dioxino[2,3-f][1,4]benzodioxine | C32H44O10

(2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)-5,6-Bis(benzyloxy)-2,3,8,9-tetramethoxy-2,3,8,9-tetramethyldecahydro[1,4]dioxino[2,3-f][1,4]benzodioxine

  • Molecular FormulaC32H44O10
  • Average mass588.686 Da
  • Monoisotopic mass588.293457 Da
  • ChemSpider ID9540251

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)-5,6-Bis(benzyloxy)-2,3,8,9-tetramethoxy-2,3,8,9-tetramethyldecahydro[1,4]dioxino[2,3-f][1,4]benzodioxin [German] [ACD/IUPAC Name]
(2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)-5,6-Bis(benzyloxy)-2,3,8,9-tetramethoxy-2,3,8,9-tetramethyldecahydro[1,4]dioxino[2,3-f][1,4]benzodioxine [ACD/IUPAC Name]
(2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)-5,6-Bis(benzyloxy)-2,3,8,9-tétraméthoxy-2,3,8,9-tétraméthyldécahydro[1,4]dioxino[2,3-f][1,4]benzodioxine [French] [ACD/IUPAC Name]
1,4-Dioxino[2,3-f][1,4]benzodioxin, decahydro-2,3,8,9-tetramethoxy-2,3,8,9-tetramethyl-5,6-bis(phenylmethoxy)-, (2S,3S,4aR,5R,6S,6aR,8S,9S,10aS,10bS)- [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: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 232.2±31.4 °C
Index of Refraction: 1.555
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 207804.34
ACD/KOC (pH 5.5): 222819.31
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 207804.34
ACD/KOC (pH 7.4): 222819.31
Polar Surface Area: 92 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 483.8±5.0 cm3

Click to predict properties on the Chemicalize site


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