ChemSpider 2D Image | (3aR,4aR,5R,6S,7S,7aS,7bR)-5,7a-Bis(benzyloxy)-2,2-dimethylhexahydro-3aH-cyclopenta[4,5]furo[2,3-d][1,3]dioxole-6,7-diyl diacetate | C28H32O9

(3aR,4aR,5R,6S,7S,7aS,7bR)-5,7a-Bis(benzyloxy)-2,2-dimethylhexahydro-3aH-cyclopenta[4,5]furo[2,3-d][1,3]dioxole-6,7-diyl diacetate

  • Molecular FormulaC28H32O9
  • Average mass512.548 Da
  • Monoisotopic mass512.204651 Da
  • ChemSpider ID9191885

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,4aR,5R,6S,7S,7aS,7bR)-5,7a-Bis(benzyloxy)-2,2-dimethylhexahydro-3aH-cyclopenta[4,5]furo[2,3-d][1,3]dioxol-6,7-diyl-diacetat [German] [ACD/IUPAC Name]
(3aR,4aR,5R,6S,7S,7aS,7bR)-5,7a-Bis(benzyloxy)-2,2-dimethylhexahydro-3aH-cyclopenta[4,5]furo[2,3-d][1,3]dioxole-6,7-diyl diacetate [ACD/IUPAC Name]
5H-Cyclopenta[4,5]furo[2,3-d]-1,3-dioxole-6,7-diol, hexahydro-2,2-dimethyl-5,7a-bis(phenylmethoxy)-, diacetate, (3aR,4aR,5R,6S,7S,7aS,7bR)- [ACD/Index Name]
Diacétate de (3aR,4aR,5R,6S,7S,7aS,7bR)-5,7a-bis(benzyloxy)-2,2-diméthylhexahydro-3aH-cyclopenta[4,5]furo[2,3-d][1,3]dioxole-6,7-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: 576.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 244.1±30.2 °C
Index of Refraction: 1.583
Molar Refractivity: 131.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7025.20
ACD/KOC (pH 5.5): 19725.57
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7025.20
ACD/KOC (pH 7.4): 19725.57
Polar Surface Area: 99 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 394.4±5.0 cm3

Click to predict properties on the Chemicalize site


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