ChemSpider 2D Image | (1S,3S,4S,5R,6S,7R)-7-(Benzyloxy)-3-[(1R)-1-(benzyloxy)-2-oxopropyl]-1-methyl-2,8-dioxabicyclo[3.2.1]octane-4,6-diyl diacetate | C28H32O9

(1S,3S,4S,5R,6S,7R)-7-(Benzyloxy)-3-[(1R)-1-(benzyloxy)-2-oxopropyl]-1-methyl-2,8-dioxabicyclo[3.2.1]octane-4,6-diyl diacetate

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID9435811

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,4S,5R,6S,7R)-7-(Benzyloxy)-3-[(1R)-1-(benzyloxy)-2-oxopropyl]-1-methyl-2,8-dioxabicyclo[3.2.1]octan-4,6-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3S,4S,5R,6S,7R)-7-(Benzyloxy)-3-[(1R)-1-(benzyloxy)-2-oxopropyl]-1-methyl-2,8-dioxabicyclo[3.2.1]octane-4,6-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1S,3S,4S,5R,6S,7R)-7-(benzyloxy)-3-[(1R)-1-(benzyloxy)-2-oxopropyl]-1-méthyl-2,8-dioxabicyclo[3.2.1]octane-4,6-diyle [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: 619.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 262.0±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1908.41
ACD/KOC (pH 5.5): 7760.73
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1908.41
ACD/KOC (pH 7.4): 7760.73
Polar Surface Area: 107 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

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