ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2,4-dimethylpentanoic acid | C7H14O3

(2S,3R)-3-Hydroxy-2,4-dimethylpentanoic acid

  • Molecular FormulaC7H14O3
  • Average mass146.184 Da
  • Monoisotopic mass146.094299 Da
  • ChemSpider ID60901681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2,4-dimethylpentanoic acid [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2,4-dimethylpentansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-3-hydroxy-2,4-diméthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-2,4-dimethyl-, (2S,3R)- [ACD/Index Name]
64869-26-7 [RN]
MFCD19228387

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

Density: 1.1±0.1 g/cm3
Boiling Point: 257.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.5±6.0 kJ/mol
Flash Point: 123.6±19.1 °C
Index of Refraction: 1.458
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.92
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 137.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement