ChemSpider 2D Image | (3aR,6R,6aR)-6-{[(4R)-2,2-Diethyl-1,3-dioxolan-4-yl](hydroxy)methyl}-2,2-diethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one | C17H28O7

(3aR,6R,6aR)-6-{[(4R)-2,2-Diethyl-1,3-dioxolan-4-yl](hydroxy)methyl}-2,2-diethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one

  • Molecular FormulaC17H28O7
  • Average mass344.400 Da
  • Monoisotopic mass344.183502 Da
  • ChemSpider ID24736083

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,6R,6aR)-6-{[(4R)-2,2-Diethyl-1,3-dioxolan-4-yl](hydroxy)methyl}-2,2-diethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-on [German] [ACD/IUPAC Name]
(3aR,6R,6aR)-6-{[(4R)-2,2-Diethyl-1,3-dioxolan-4-yl](hydroxy)methyl}-2,2-diethyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [ACD/IUPAC Name]
(3aR,6R,6aR)-6-{[(4R)-2,2-Diéthyl-1,3-dioxolan-4-yl](hydroxy)méthyl}-2,2-diéthyldihydrofuro[3,4-d][1,3]dioxol-4(3aH)-one [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: 470.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 164.5±22.2 °C
Index of Refraction: 1.475
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 30.33
ACD/KOC (pH 5.5): 400.23
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.33
ACD/KOC (pH 7.4): 400.22
Polar Surface Area: 83 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 299.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement