ChemSpider 2D Image | Ononitol | C7H14O6

Ononitol

  • Molecular FormulaC7H14O6
  • Average mass194.182 Da
  • Monoisotopic mass194.079041 Da
  • ChemSpider ID21864849

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(+)-ononitol
(1R,2S,3S,4S,5S,6S)-6-Methoxy-1,2,3,4,5-cyclohexanepentol [ACD/IUPAC Name]
(1R,2S,3S,4S,5S,6S)-6-Méthoxy-1,2,3,4,5-cyclohexanepentol [French] [ACD/IUPAC Name]
(1R,2S,3S,4S,5S,6S)-6-Methoxy-1,2,3,4,5-cyclohexanpentol [German] [ACD/IUPAC Name]
(1R,2S,3S,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol
1,2,3,4,5-Cyclohexanepentol, 6-methoxy-, (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
1-D-4-O-METHYL-MYO-INOSITOL
4-O-Methyl-myo-inositol
6090-97-7 [RN]
A998ME07KR
More...

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

6090-97-7,484-69-5 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 317.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.8±6.0 kJ/mol
Flash Point: 145.6±27.9 °C
Index of Refraction: 1.588
Molar Refractivity: 41.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 110 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 123.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement