ChemSpider 2D Image | (2R,4S)-2,4,7-Trihydroxyheptanoic acid | C7H14O5

(2R,4S)-2,4,7-Trihydroxyheptanoic acid

  • Molecular FormulaC7H14O5
  • Average mass178.183 Da
  • Monoisotopic mass178.084122 Da
  • ChemSpider ID25056865

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,4S)-2,4,7-Trihydroxyheptanoic acid [ACD/IUPAC Name]
(2R,4S)-2,4,7-Trihydroxyheptansäure [German] [ACD/IUPAC Name]
Acide (2R,4S)-2,4,7-trihydroxyheptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2,4,7-trihydroxy-, (2R,4S)- [ACD/Index Name]
1N5

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.2±6.0 kJ/mol
Flash Point: 255.5±25.2 °C
Index of Refraction: 1.527
Molar Refractivity: 40.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -3.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 132.0±3.0 cm3

Click to predict properties on the Chemicalize site


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