ChemSpider 2D Image | (2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexanone | C6H10O6

(2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexanone

  • Molecular FormulaC6H10O6
  • Average mass178.140 Da
  • Monoisotopic mass178.047745 Da
  • ChemSpider ID26327690

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexanon [German] [ACD/IUPAC Name]
(2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexanone [ACD/IUPAC Name]
(2S,3R,4R,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,3,4,5,6-pentahydroxy-, (2α,3α,4β,5α,6β)- [ACD/Index Name]
I1N

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

Density: 2.0±0.1 g/cm3
Boiling Point: 368.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 190.9±24.4 °C
Index of Refraction: 1.749
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 118 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 177.4±3.0 dyne/cm
Molar Volume: 87.9±3.0 cm3

Click to predict properties on the Chemicalize site


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