ChemSpider 2D Image | (4S,5R)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate | C21H20O5

(4S,5R)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate

  • Molecular FormulaC21H20O5
  • Average mass352.380 Da
  • Monoisotopic mass352.131073 Da
  • ChemSpider ID24225183

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,5R)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate [ACD/IUPAC Name]
(4S,5R)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl-4-biphenylcarboxylat [German] [ACD/IUPAC Name]
[1,1'-Biphenyl]-4-carboxylic acid, (4S,5R)-hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl ester [ACD/Index Name]
4-Biphénylcarboxylate de (4S,5R)-4-(hydroxyméthyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yle [French] [ACD/IUPAC Name]
(2S,5S,1R,3R)-2-(hydroxymethyl)-7-oxo-6-oxabicyclo[3.3.0]oct-3-yl 4-phenylbenzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 210.6±22.2 °C
Index of Refraction: 1.629
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.43
ACD/KOC (pH 5.5): 1015.89
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 111.43
ACD/KOC (pH 7.4): 1015.89
Polar Surface Area: 73 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 265.2±5.0 cm3

Click to predict properties on the Chemicalize site


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