ChemSpider 2D Image | (1S,3R,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid | C10H12O6

(1S,3R,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID32843033

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,3R,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-en-3,5-dicarbonsäure [German] [ACD/IUPAC Name]
(1S,3R,5S,8R)-8-Hydroxy-2-oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid [ACD/IUPAC Name]
2-Oxabicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid, 8-hydroxy-, (1S,3R,5S,8R)- [ACD/Index Name]
Acide (1S,3R,5S,8R)-8-hydroxy-2-oxabicyclo[3.3.1]non-6-ène-3,5-dicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 473.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 192.4±22.2 °C
Index of Refraction: 1.624
Molar Refractivity: 49.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.65
ACD/LogD (pH 5.5): -4.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 86.6±3.0 dyne/cm
Molar Volume: 141.3±3.0 cm3

Click to predict properties on the Chemicalize site


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