ChemSpider 2D Image | (2R,3R)-3-Hydroxy-2-iodo-2-methylbutanoic acid | C5H9IO3

(2R,3R)-3-Hydroxy-2-iodo-2-methylbutanoic acid

  • Molecular FormulaC5H9IO3
  • Average mass244.028 Da
  • Monoisotopic mass243.959625 Da
  • ChemSpider ID74049783

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-3-Hydroxy-2-iod-2-methylbutansäure [German] [ACD/IUPAC Name]
(2R,3R)-3-Hydroxy-2-iodo-2-methylbutanoic acid [ACD/IUPAC Name]
Acide (2R,3R)-3-hydroxy-2-iodo-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-2-iodo-2-methyl-, (2R,3R)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 291.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 129.9±25.9 °C
Index of Refraction: 1.588
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 122.5±3.0 cm3

Click to predict properties on the Chemicalize site


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