ChemSpider 2D Image | (3R,4R,5S,6R)-3,4,5-Trihydroxy-6-methyltetrahydro-2H-pyran-2-one (non-preferred name) | C6H10O5

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

  • Molecular FormulaC6H10O5
  • Average mass162.141 Da
  • Monoisotopic mass162.052826 Da
  • ChemSpider ID61624050

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-methyltetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-methyltetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3R,4R,5S,6R)-3,4,5-Trihydroxy-6-méthyltétrahydro-2H-pyran-2-one (non-preferred name) [French] [ACD/IUPAC Name]
1932640-09-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 352.7±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 152.3±18.3 °C
Index of Refraction: 1.567
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 87 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 104.9±3.0 cm3

Click to predict properties on the Chemicalize site


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