ChemSpider 2D Image | (2R,2'R,5'S)-5-Hydroxy-3-oxo-5'-(3-oxo-1-propen-2-yl)-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid | C16H14O6

(2R,2'R,5'S)-5-Hydroxy-3-oxo-5'-(3-oxo-1-propen-2-yl)-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID78441628

  • 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-Hydroxy-3-oxo-5'-(3-oxo-1-propen-2-yl)-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carbonsäure [German] [ACD/IUPAC Name]
(2R,2'R,5'S)-5-Hydroxy-3-oxo-5'-(3-oxo-1-propen-2-yl)-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylic acid [ACD/IUPAC Name]
Acide (2R,2'R,5'S)-5-hydroxy-3-oxo-5'-(3-oxo-1-propén-2-yl)-3H-spiro[1-benzofuran-2,1'-cyclopentane]-2'-carboxylique [French] [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclopentane]-2'-carboxylic acid, 5'-(1-formylethenyl)-5-hydroxy-3-oxo-, (2R,2'R,5'S)- [ACD/Index Name]
Spiroapplanatumine N

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

Density: 1.5±0.1 g/cm3
Boiling Point: 619.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 236.1±25.0 °C
Index of Refraction: 1.642
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

Click to predict properties on the Chemicalize site


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