ChemSpider 2D Image | (4R)-2-(2-Ethyl-1,3-dioxolan-2-yl)-4-{(4R,5S,6R)-6-[(1S)-1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl}-3-pentanol | C24H44O7

(4R)-2-(2-Ethyl-1,3-dioxolan-2-yl)-4-{(4R,5S,6R)-6-[(1S)-1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl}-3-pentanol

  • Molecular FormulaC24H44O7
  • Average mass444.602 Da
  • Monoisotopic mass444.308716 Da
  • ChemSpider ID74103907

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4R)-2-(2-Ethyl-1,3-dioxolan-2-yl)-4-{(4R,5S,6R)-6-[(1S)-1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl}-3-pentanol [German] [ACD/IUPAC Name]
(4R)-2-(2-Ethyl-1,3-dioxolan-2-yl)-4-{(4R,5S,6R)-6-[(1S)-1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl}-3-pentanol [ACD/IUPAC Name]
(4R)-2-(2-Éthyl-1,3-dioxolan-2-yl)-4-{(4R,5S,6R)-6-[(1S)-1-(2-éthyl-1,3-dioxolan-2-yl)éthyl]-2,2,5-triméthyl-1,3-dioxan-4-yl}-3-pentanol [French] [ACD/IUPAC Name]
1,3-Dioxane-4-ethanol, 6-[(1S)-1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-α-[1-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-β,2,2,5-tetramethyl-, (βR,4R,5S,6R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 505.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 259.5±28.7 °C
Index of Refraction: 1.466
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.82
ACD/KOC (pH 5.5): 828.57
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.82
ACD/KOC (pH 7.4): 828.57
Polar Surface Area: 76 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 425.8±3.0 cm3

Click to predict properties on the Chemicalize site


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