ChemSpider 2D Image | Methyl (2R,2'R,5'S)-5,5'-dihydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate | C14H14O6

Methyl (2R,2'R,5'S)-5,5'-dihydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate

  • Molecular FormulaC14H14O6
  • Average mass278.257 Da
  • Monoisotopic mass278.079041 Da
  • ChemSpider ID78441632

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,2'R,5'S)-5,5'-Dihydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R,2'R,5'S)-5,5'-dihydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylate [ACD/IUPAC Name]
Methyl-(2R,2'R,5'S)-5,5'-dihydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylat [German] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclopentane]-2'-carboxylic acid, 5,5'-dihydroxy-3-oxo-, methyl ester, (2R,2'R,5'S)- [ACD/Index Name]
Spiroapplanatumine Q

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

Density: 1.5±0.1 g/cm3
Boiling Point: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 199.1±23.6 °C
Index of Refraction: 1.633
Molar Refractivity: 66.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 77.27
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.60
Polar Surface Area: 93 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 186.0±5.0 cm3

Click to predict properties on the Chemicalize site


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