ChemSpider 2D Image | (3aR,4R,6aS)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate | C32H40O6

(3aR,4R,6aS)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID23976507

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,4R,6aS)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate [ACD/IUPAC Name]
(3aR,4R,6aS)-4-[2-(2-Heptyl-1,3-dioxolan-2-yl)ethyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl-4-biphenylcarboxylat [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,6aS)-4-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester [ACD/Index Name]
4-Biphénylcarboxylate de (3aR,4R,6aS)-4-[2-(2-heptyl-1,3-dioxolan-2-yl)éthyl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one 5-(4-Phenylbenzoate)
(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one 5-(4-Phenylbenzoate)-d15
(3aR,4R,5R,6aS)-4-[3-(Ethyleneketal)decanyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one5-(4-Phenylbenzoate)
120396-31-8 [RN]
missing

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 278.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 7.45
ACD/BCF (pH 5.5): 269833.94
ACD/KOC (pH 5.5): 268629.34
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 269833.94
ACD/KOC (pH 7.4): 268629.34
Polar Surface Area: 71 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 438.8±5.0 cm3

Click to predict properties on the Chemicalize site


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