ChemSpider 2D Image | (4R,5R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one | C7H10O5

(4R,5R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one

  • Molecular FormulaC7H10O5
  • Average mass174.151 Da
  • Monoisotopic mass174.052826 Da
  • ChemSpider ID110554427

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R,5R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5R)-4,5,6-Trihydroxy-2-(hydroxymethyl)-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5R)-4,5,6-Trihydroxy-2-(hydroxyméthyl)-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4,5,6-trihydroxy-2-(hydroxymethyl)-, (4R,5R)- [ACD/Index 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: 429.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 227.6±25.2 °C
Index of Refraction: 1.662
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.38
Polar Surface Area: 98 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 104.5±3.0 dyne/cm
Molar Volume: 103.8±3.0 cm3

Click to predict properties on the Chemicalize site


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