ChemSpider 2D Image | (3S,4R,5S)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) | C6H10O6

(3S,4R,5S)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC6H10O6
  • Average mass178.140 Da
  • Monoisotopic mass178.047745 Da
  • ChemSpider ID114394935

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3S,4R,5S)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5S)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5S)-3,4,5-Trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 446.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 192.3±20.3 °C
Index of Refraction: 1.608
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.38
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 107 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 98.4±3.0 dyne/cm
Molar Volume: 103.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement