ChemSpider 2D Image | 1,3-Bis(2-{[(3aS,4S,5aR,9aR,9bS)-2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin-4-yl]oxy}ethoxy)-2-propanol | C31H52O15

1,3-Bis(2-{[(3aS,4S,5aR,9aR,9bS)-2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin-4-yl]oxy}ethoxy)-2-propanol

  • Molecular FormulaC31H52O15
  • Average mass664.736 Da
  • Monoisotopic mass664.330627 Da
  • ChemSpider ID9402690

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1,3-Bis(2-{[(3aS,4S,5aR,9aR,9bS)-2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin-4-yl]oxy}ethoxy)-2-propanol [ACD/IUPAC Name]
1,3-Bis(2-{[(3aS,4S,5aR,9aR,9bS)-2,2,8,8-tetramethylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin-4-yl]oxy}ethoxy)-2-propanol [German] [ACD/IUPAC Name]
1,3-Bis(2-{[(3aS,4S,5aR,9aR,9bS)-2,2,8,8-tétraméthylhexahydro[1,3]dioxolo[4,5]pyrano[3,2-d][1,3]dioxin-4-yl]oxy}éthoxy)-2-propanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 717.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.8±6.0 kJ/mol
Flash Point: 387.7±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1179.94
ACD/KOC (pH 5.5): 5500.95
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1179.94
ACD/KOC (pH 7.4): 5500.95
Polar Surface Area: 149 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 511.6±5.0 cm3

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