ChemSpider 2D Image | (4S)-4,5-Dihydroxyhexanal | C6H12O3

(4S)-4,5-Dihydroxyhexanal

  • Molecular FormulaC6H12O3
  • Average mass132.158 Da
  • Monoisotopic mass132.078644 Da
  • ChemSpider ID61607421

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-4,5-Dihydroxyhexanal [German] [ACD/IUPAC Name]
(4S)-4,5-Dihydroxyhexanal [ACD/IUPAC Name]
(4S)-4,5-Dihydroxyhexanal [French] [ACD/IUPAC Name]
Hexanal, 4,5-dihydroxy-, (4S)- [ACD/Index Name]
1933786-78-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 289.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 61.3±6.0 kJ/mol
Flash Point: 142.8±21.1 °C
Index of Refraction: 1.460
Molar Refractivity: 33.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.40
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.55
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.55
Polar Surface Area: 58 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 120.7±3.0 cm3

Click to predict properties on the Chemicalize site


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