ChemSpider 2D Image | (2S,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexanone | C35H36O6

(2S,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexanone

  • Molecular FormulaC35H36O6
  • Average mass552.657 Da
  • Monoisotopic mass552.251160 Da
  • ChemSpider ID57422432

  • 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-Tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexanon [German] [ACD/IUPAC Name]
(2S,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-[(benzyloxy)methyl]-5-hydroxycyclohexanone [ACD/IUPAC Name]
(2S,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-[(benzyloxy)méthyl]-5-hydroxycyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 5-hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-, (2S,3S,4S,5S)- [ACD/Index Name]
(2R,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone
(2S,3S,4S,5S)-2,3,4-Tris(benzyloxy)-5-((benzyloxy)methyl)-5-hydroxycyclohexanone
(2S,3S,4S,5S)-5-Hydroxy-2,3,4-tris(phenylmethoxy)-5-[(phenylmethoxy)methyl]-cyclohexanone
115250-38-9 [RN]
306968-48-9 [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: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 214.1±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 158.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 46635.17
ACD/KOC (pH 5.5): 76462.35
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46634.50
ACD/KOC (pH 7.4): 76461.26
Polar Surface Area: 74 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 448.5±5.0 cm3

Click to predict properties on the Chemicalize site


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