ChemSpider 2D Image | [(2R,4R,6R)-6-{[(2R,4R,6R)-6-{(1E,3S,4S)-4-[(4-Methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2-phenyl-1,3-dioxan-4-yl]methyl}-2-phenyl-1,3-dioxan-4-yl]acetaldehyde | C39H48O7

[(2R,4R,6R)-6-{[(2R,4R,6R)-6-{(1E,3S,4S)-4-[(4-Methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2-phenyl-1,3-dioxan-4-yl]methyl}-2-phenyl-1,3-dioxan-4-yl]acetaldehyde

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID9597133

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,4R,6R)-6-{[(2R,4R,6R)-6-{(1E,3S,4S)-4-[(4-Methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2-phenyl-1,3-dioxan-4-yl]methyl}-2-phenyl-1,3-dioxan-4-yl]acetaldehyd [German] [ACD/IUPAC Name]
[(2R,4R,6R)-6-{[(2R,4R,6R)-6-{(1E,3S,4S)-4-[(4-Methoxybenzyl)oxy]-3,5-dimethyl-1-hexen-1-yl}-2-phenyl-1,3-dioxan-4-yl]methyl}-2-phenyl-1,3-dioxan-4-yl]acetaldehyde [ACD/IUPAC Name]
[(2R,4R,6R)-6-{[(2R,4R,6R)-6-{(1E,3S,4S)-4-[(4-Méthoxybenzyl)oxy]-3,5-diméthyl-1-hexén-1-yl}-2-phényl-1,3-dioxan-4-yl]méthyl}-2-phényl-1,3-dioxan-4-yl]acétaldéhyde [French] [ACD/IUPAC Name]
1,3-Dioxane-4-acetaldehyde, 6-[[(2R,4R,6R)-6-[(1E,3S,4S)-4-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-1-hexen-1-yl]-2-phenyl-1,3-dioxan-4-yl]methyl]-2-phenyl-, (2R,4R,6R)- [ACD/Index 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: 724.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 294.6±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 180.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 196068.36
ACD/KOC (pH 5.5): 213737.73
ACD/LogD (pH 7.4): 7.27
ACD/BCF (pH 7.4): 196068.36
ACD/KOC (pH 7.4): 213737.73
Polar Surface Area: 72 Å2
Polarizability: 71.7±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 561.1±3.0 cm3

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