ChemSpider 2D Image | 3,5-Dihydroxy-3-(~2~H_3_)methylpentanoic acid | C6H9D3O4

3,5-Dihydroxy-3-(2H3)methylpentanoic acid

  • Molecular FormulaC6H9D3O4
  • Average mass151.176 Da
  • Monoisotopic mass151.092392 Da
  • ChemSpider ID98644437

  • Non-standard isotope - Non-standard isotope

More details:

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

3,5-Dihydroxy-3-(2H3)methylpentanoic acid [ACD/IUPAC Name]
3,5-Dihydroxy-3-(2H3)methylpentansäure [German] [ACD/IUPAC Name]
Acide 3,5-dihydroxy-3-(2H3)méthylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3,5-dihydroxy-3-(methyl-d3)- [ACD/Index Name]
52061-66-2 [RN]
52061-66-2 (free acid)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 364.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 188.2±21.6 °C
Index of Refraction: 1.499
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 117.3±3.0 cm3

Click to predict properties on the Chemicalize site


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