ChemSpider 2D Image | (2R,3R)-2,4,4-Trihydroxy-3-methylbutanal | C5H10O4

(2R,3R)-2,4,4-Trihydroxy-3-methylbutanal

  • Molecular FormulaC5H10O4
  • Average mass134.130 Da
  • Monoisotopic mass134.057907 Da
  • ChemSpider ID35034186

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,4,4-Trihydroxy-3-methylbutanal [German] [ACD/IUPAC Name]
(2R,3R)-2,4,4-Trihydroxy-3-methylbutanal [ACD/IUPAC Name]
(2R,3R)-2,4,4-Trihydroxy-3-méthylbutanal [French] [ACD/IUPAC Name]
Butanal, 2,4,4-trihydroxy-3-methyl-, (2R,3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 366.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 189.8±24.4 °C
Index of Refraction: 1.497
Molar Refractivity: 29.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.94
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.43
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.43
Polar Surface Area: 78 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

Click to predict properties on the Chemicalize site


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