ChemSpider 2D Image | (9R,10R)-2-Cyano-3,8,8-trimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) | C36H39NO11

(9R,10R)-2-Cyano-3,8,8-trimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate)

  • Molecular FormulaC36H39NO11
  • Average mass661.695 Da
  • Monoisotopic mass661.252319 Da
  • ChemSpider ID34542797

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(9R,10R)-2-Cyan-3,8,8-trimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-9,10-diyl-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat) [German] [ACD/IUPAC Name]
(9R,10R)-2-Cyano-3,8,8-trimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromene-9,10-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (9R,10R)-2-cyano-9,10-dihydro-3,8,8-trimethyl-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-9,10-diyl ester [ACD/Index Name]
Bis(4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) de (9R,10R)-2-cyano-3,8,8-triméthyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromène-9,10-diyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 305.0±23.1 °C
Index of Refraction: 1.608
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.57
ACD/KOC (pH 5.5): 812.58
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.57
ACD/KOC (pH 7.4): 812.58
Polar Surface Area: 165 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 473.5±5.0 cm3

Click to predict properties on the Chemicalize site


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