ChemSpider 2D Image | Allyl D-idopyranuronate | C9H14O7

Allyl D-idopyranuronate

  • Molecular FormulaC9H14O7
  • Average mass234.203 Da
  • Monoisotopic mass234.073959 Da
  • ChemSpider ID27472516

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

Allyl D-idopyranuronate [ACD/IUPAC Name]
Allyl-D-idopyranuronat [German] [ACD/IUPAC Name]
D-Idopyranuronate d'allyle [French] [ACD/IUPAC Name]
D-Idopyranuronic acid, 2-propen-1-yl ester [ACD/Index Name]
188717-04-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 406.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.1±6.0 kJ/mol
Flash Point: 161.0±22.2 °C
Index of Refraction: 1.589
Molar Refractivity: 51.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.90
Polar Surface Area: 116 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 151.2±3.0 cm3

Click to predict properties on the Chemicalize site


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