ChemSpider 2D Image | (2S,2'R)-5-Hydroxy-6'-(methoxycarbonyl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid | C17H16O7

(2S,2'R)-5-Hydroxy-6'-(methoxycarbonyl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid

  • Molecular FormulaC17H16O7
  • Average mass332.305 Da
  • Monoisotopic mass332.089600 Da
  • ChemSpider ID78441637

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'R)-5-Hydroxy-6'-(methoxycarbonyl)-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclohept[5]ene]-2',6'-dicarboxylic acid, 5-hydroxy-3-oxo-, 6'-methyl ester, (2S,2'R)- [ACD/Index Name]
Spiroapplanatumine E

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 225.0±25.0 °C
Index of Refraction: 1.634
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.23
ACD/KOC (pH 5.5): 13.53
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 224.2±5.0 cm3

Click to predict properties on the Chemicalize site


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