ChemSpider 2D Image | (5S)-5-(Dihydroxymethyl)-3,4-dihydroxy-2(5H)-furanone | C5H6O6

(5S)-5-(Dihydroxymethyl)-3,4-dihydroxy-2(5H)-furanone

  • Molecular FormulaC5H6O6
  • Average mass162.098 Da
  • Monoisotopic mass162.016434 Da
  • ChemSpider ID61388113

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-(Dihydroxymethyl)-3,4-dihydroxy-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-(Dihydroxymethyl)-3,4-dihydroxy-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-(Dihydroxyméthyl)-3,4-dihydroxy-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-(dihydroxymethyl)-3,4-dihydroxy-, (5S)- [ACD/Index Name]
1932535-87-9 [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: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 221.4±22.2 °C
Index of Refraction: 1.771
Molar Refractivity: 30.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.17
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 181.6±3.0 dyne/cm
Molar Volume: 73.6±3.0 cm3

Click to predict properties on the Chemicalize site


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