ChemSpider 2D Image | 3-hydroxy-2-methyl-[R-(R,S)]-Butanoic acid | C5H10O3

3-hydroxy-2-methyl-[R-(R,S)]-Butanoic acid

  • Molecular FormulaC5H10O3
  • Average mass118.131 Da
  • Monoisotopic mass118.062996 Da
  • ChemSpider ID13628066

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-hydroxy-2-methyl-[R-(R,S)]-Butanoic acid
(2S,3R)-3-Hydroxy-2-methylbutanoic acid [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-methylbutansäure [German] [ACD/IUPAC Name]
71526-30-2 [RN]
Acide (2S,3R)-3-hydroxy-2-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-2-methyl-, (2S,3R)- [ACD/Index Name]
3-hydroxy-2-methyl-[R-(R*,S*)]-Butanoate
3-hydroxy-2-methyl-[R-(R*,S*)]-Butanoic acid
3-Hydroxy-2-methyl-[R-(R,S)]-butanoate
(-)-erythro-Nilate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.1±0.0 g/cm3
Boiling Point: 242.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 55.8±0.0 kJ/mol
Flash Point: 114.9±0.0 °C
Index of Refraction: 1.455
Molar Refractivity: 28.2±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 11.2±0.0 10-24cm3
Surface Tension: 41.8±0.0 dyne/cm
Molar Volume: 104.0±0.0 cm3

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