ChemSpider 2D Image | [(2R,4aR,6S,6aS,7R,8R,9aR,9bS)-8-(Benzoyloxy)-6-methoxy-9a-methyl-2-phenyloctahydro-4H-cyclopenta[4,5]pyrano[3,2-d][1,3]dioxin-7-yl]methyl benzoate | C33H34O8

[(2R,4aR,6S,6aS,7R,8R,9aR,9bS)-8-(Benzoyloxy)-6-methoxy-9a-methyl-2-phenyloctahydro-4H-cyclopenta[4,5]pyrano[3,2-d][1,3]dioxin-7-yl]methyl benzoate

  • Molecular FormulaC33H34O8
  • Average mass558.618 Da
  • Monoisotopic mass558.225342 Da
  • ChemSpider ID31022355

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,4aR,6S,6aS,7R,8R,9aR,9bS)-8-(Benzoyloxy)-6-methoxy-9a-methyl-2-phenyloctahydro-4H-cyclopenta[4,5]pyrano[3,2-d][1,3]dioxin-7-yl]methyl benzoate [ACD/IUPAC Name]
[(2R,4aR,6S,6aS,7R,8R,9aR,9bS)-8-(Benzoyloxy)-6-methoxy-9a-methyl-2-phenyloctahydro-4H-cyclopenta[4,5]pyrano[3,2-d][1,3]dioxin-7-yl]methyl-benzoat [German] [ACD/IUPAC Name]
4H-Cyclopenta[4,5]pyrano[3,2-d]-1,3-dioxin-7-methanol, 8-(benzoyloxy)octahydro-6-methoxy-9a-methyl-2-phenyl-, benzoate, (2R,4aR,6S,6aS,7R,8R,9aR,9bS)- [ACD/Index Name]
Benzoate de [(2R,4aR,6S,6aS,7R,8R,9aR,9bS)-8-(benzoyloxy)-6-méthoxy-9a-méthyl-2-phényloctahydro-4H-cyclopenta[4,5]pyrano[3,2-d][1,3]dioxin-7-yl]méthyle [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: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 276.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28829.93
ACD/KOC (pH 5.5): 54192.68
ACD/LogD (pH 7.4): 6.17
ACD/BCF (pH 7.4): 28829.93
ACD/KOC (pH 7.4): 54192.68
Polar Surface Area: 90 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 430.8±5.0 cm3

Click to predict properties on the Chemicalize site


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