ChemSpider 2D Image | 2-epi-valiolone | C7H12O6

2-epi-valiolone

  • Molecular FormulaC7H12O6
  • Average mass192.167 Da
  • Monoisotopic mass192.063385 Da
  • ChemSpider ID58163466

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3S,4S,5S)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)cyclohexanon [German] [ACD/IUPAC Name]
(2S,3S,4S,5S)-2,3,4,5-Tetrahydroxy-5-(hydroxymethyl)cyclohexanone [ACD/IUPAC Name]
(2S,3S,4S,5S)-2,3,4,5-Tétrahydroxy-5-(hydroxyméthyl)cyclohexanone [French] [ACD/IUPAC Name]
2-epi-valiolone
Cyclohexanone, 2,3,4,5-tetrahydroxy-5-(hydroxymethyl)-, (2S,3S,4S,5S)- [ACD/Index Name]
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one
1384518-63-1 [RN]
2-epi-valiolone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 400.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 210.3±25.2 °C
Index of Refraction: 1.670
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 118 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 125.5±3.0 dyne/cm
Molar Volume: 107.9±3.0 cm3

Click to predict properties on the Chemicalize site


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