Found 1 result

Search term: validone (Found by approved synonym)
ChemSpider 2D Image | validone | C7H12O5

validone

  • Molecular FormulaC7H12O5
  • Average mass176.167 Da
  • Monoisotopic mass176.068466 Da
  • ChemSpider ID26582156

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)cyclohexanon [German] [ACD/IUPAC Name]
(2R,3S,4R,5R)-2,3,4-Trihydroxy-5-(hydroxymethyl)cyclohexanone [ACD/IUPAC Name]
(2R,3S,4R,5R)-2,3,4-Trihydroxy-5-(hydroxyméthyl)cyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,3,4-trihydroxy-5-(hydroxymethyl)-, (2R,3S,4R,5R)- [ACD/Index Name]
validone
(2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexan-1-one
251540-22-4 [RN]
  • Miscellaneous

    • Chemical Class:

      A member of the class of hydroxycyclohexanones that is cyclohexanone substituted by hydroxy groups at positions 2, 3 and 4, and by a hydroxymethyl group at position 5 (the 2<stereo>R</stereo>,3<stereo >S</stereo>,4<stereo>R</stereo>,5<stereo>R</stereo>-diastereomer). ChEBI CHEBI:111542
      A member of the class of hydroxycyclohexanones that is cyclohexanone substituted by hydroxy groups at positions 2, 3 and 4, and by a hydroxymethyl group at position 5 (the 2R,3S,4R,5R-diastereomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:111542, CHEBI:111542

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

Density: 1.6±0.1 g/cm3
Boiling Point: 377.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.3±6.0 kJ/mol
Flash Point: 196.1±24.4 °C
Index of Refraction: 1.606
Molar Refractivity: 38.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.09
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.88
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 98 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 89.4±3.0 dyne/cm
Molar Volume: 112.5±3.0 cm3

Click to predict properties on the Chemicalize site


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