ChemSpider 2D Image | 3,4,5-Trihydroxy-5-(hydroxymethyl)-2(5H)-furanone | C5H6O6

3,4,5-Trihydroxy-5-(hydroxymethyl)-2(5H)-furanone

  • Molecular FormulaC5H6O6
  • Average mass162.098 Da
  • Monoisotopic mass162.016434 Da
  • ChemSpider ID61031933

More details:

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

2(5H)-Furanone, 3,4,5-trihydroxy-5-(hydroxymethyl)- [ACD/Index Name]
3,4,5-Trihydroxy-5-(hydroxymethyl)-2(5H)-furanon [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy-5-(hydroxymethyl)-2(5H)-furanone [ACD/IUPAC Name]
3,4,5-Trihydroxy-5-(hydroxyméthyl)-2(5H)-furanone [French] [ACD/IUPAC Name]
1823618-11-6 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 242.7±23.6 °C
Index of Refraction: 1.775
Molar Refractivity: 30.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 183.8±3.0 dyne/cm
Molar Volume: 73.5±3.0 cm3

Click to predict properties on the Chemicalize site


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