ChemSpider 2D Image | (1R,2S,3R,4S,5S,6R)-3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexanediol | C34H36O6

(1R,2S,3R,4S,5S,6R)-3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexanediol

  • Molecular FormulaC34H36O6
  • Average mass540.646 Da
  • Monoisotopic mass540.251160 Da
  • ChemSpider ID9908959

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3R,4S,5S,6R)-3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexandiol [German] [ACD/IUPAC Name]
(1R,2S,3R,4S,5S,6R)-3,4,5,6-Tetrakis(benzyloxy)-1,2-cyclohexanediol [ACD/IUPAC Name]
(1R,2S,3R,4S,5S,6R)-3,4,5,6-Tétrakis(benzyloxy)-1,2-cyclohexanediol [French] [ACD/IUPAC Name]
1,2-Cyclohexanediol, 3,4,5,6-tetrakis(phenylmethoxy)-, (1R,2S,3R,4S,5S,6R)- [ACD/Index Name]
(1R,2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(benzyloxy)cyclohexane-1,2-diol
(1S,2R,3R,4S,5S,6R)-3,4,5,6-Tetrakis(phenylmethoxy)cyclohexane-1,2-diol
(2S,4S,5S,1R,3R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
1,4,5,6-Tetra-O-benzyl-myo-inositol
24558-77-8 [RN]
26276-99-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.633
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.98
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79535.91
ACD/KOC (pH 5.5): 112047.77
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79535.55
ACD/KOC (pH 7.4): 112047.27
Polar Surface Area: 77 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 434.3±5.0 cm3

Click to predict properties on the Chemicalize site


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