ChemSpider 2D Image | (4R,6R,4'R,6'R)-4,4'-{[(4S,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis{6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxane} | C36H52O8

(4R,6R,4'R,6'R)-4,4'-{[(4S,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis{6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxane}

  • Molecular FormulaC36H52O8
  • Average mass612.793 Da
  • Monoisotopic mass612.366211 Da
  • ChemSpider ID9094431

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(4R,6R,4'R,6'R)-4,4'-{[(4S,6S)-2,2-Dimethyl-1,3-dioxan-4,6-diyl]dimethylen}bis{6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan} [German] [ACD/IUPAC Name]
(4R,6R,4'R,6'R)-4,4'-{[(4S,6S)-2,2-Dimethyl-1,3-dioxane-4,6-diyl]bis(methylene)}bis{6-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxane} [ACD/IUPAC Name]
(4R,6R,4'R,6'R)-4,4'-{[(4S,6S)-2,2-Diméthyl-1,3-dioxane-4,6-diyl]diméthylène}bis{6-[(benzyloxy)méthyl]-2,2-diméthyl-1,3-dioxane} [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 663.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 241.8±30.0 °C
Index of Refraction: 1.499
Molar Refractivity: 169.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13354.61
ACD/KOC (pH 5.5): 31240.30
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13354.61
ACD/KOC (pH 7.4): 31240.30
Polar Surface Area: 74 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 577.4±3.0 cm3

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