ChemSpider 2D Image | (1S,2E,4R,5R,6R)-2-Benzylidene-3,5,6-tris(benzyloxy)-4-hydroxycyclohexanecarbaldehyde | C35H34O5

(1S,2E,4R,5R,6R)-2-Benzylidene-3,5,6-tris(benzyloxy)-4-hydroxycyclohexanecarbaldehyde

  • Molecular FormulaC35H34O5
  • Average mass534.641 Da
  • Monoisotopic mass534.240601 Da
  • ChemSpider ID8500300

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2E,4R,5R,6R)-2-Benzyliden-3,5,6-tris(benzyloxy)-4-hydroxycyclohexancarbaldehyd [German] [ACD/IUPAC Name]
(1S,2E,4R,5R,6R)-2-Benzylidene-3,5,6-tris(benzyloxy)-4-hydroxycyclohexanecarbaldehyde [ACD/IUPAC Name]
(1S,2E,4R,5R,6R)-2-Benzylidène-3,5,6-tris(benzyloxy)-4-hydroxycyclohexanecarbaldéhyde [French] [ACD/IUPAC Name]
Cyclohexanecarboxaldehyde, 4-hydroxy-2,3,5-tris(phenylmethoxy)-6-(phenylmethylene)-, (1S,2R,3R,4R,6E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 219.2±25.0 °C
Index of Refraction: 1.636
Molar Refractivity: 156.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.36
ACD/LogD (pH 5.5): 7.02
ACD/BCF (pH 5.5): 128196.26
ACD/KOC (pH 5.5): 157686.64
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 128195.98
ACD/KOC (pH 7.4): 157686.30
Polar Surface Area: 65 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 436.7±5.0 cm3

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