ChemSpider 2D Image | Methyl [(3aR,4R,5aS,8R,9aS,9bS)-4-{(S)-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}[(4R)-2-thioxo-1,3-dioxolan-4-yl]methyl}-2,2-diethyloctahydro[1,3]dioxolo[4,5-d]pyrano[3,2-b]pyran-8-yl]acetate | C26H44O9SSi

Methyl [(3aR,4R,5aS,8R,9aS,9bS)-4-{(S)-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}[(4R)-2-thioxo-1,3-dioxolan-4-yl]methyl}-2,2-diethyloctahydro[1,3]dioxolo[4,5-d]pyrano[3,2-b]pyran-8-yl]acetate

  • Molecular FormulaC26H44O9SSi
  • Average mass560.773 Da
  • Monoisotopic mass560.247559 Da
  • ChemSpider ID9831723

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(3aR,4R,5aS,8R,9aS,9bS)-4-{(S)-{[Diméthyl(2-méthyl-2-propanyl)silyl]oxy}[(4R)-2-thioxo-1,3-dioxolan-4-yl]méthyl}-2,2-diéthyloctahydro[1,3]dioxolo[4,5-d]pyrano[3,2-b]pyran-8-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [(3aR,4R,5aS,8R,9aS,9bS)-4-{(S)-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}[(4R)-2-thioxo-1,3-dioxolan-4-yl]methyl}-2,2-diethyloctahydro[1,3]dioxolo[4,5-d]pyrano[3,2-b]pyran-8-yl]acetate [ACD/IUPAC Name]
Methyl-[(3aR,4R,5aS,8R,9aS,9bS)-4-{(S)-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}[(4R)-2-thioxo-1,3-dioxolan-4-yl]methyl}-2,2-diethyloctahydro[1,3]dioxolo[4,5-d]pyrano[3,2-b]pyran-8-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.7±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17580.20
ACD/KOC (pH 5.5): 38034.25
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17580.20
ACD/KOC (pH 7.4): 38034.25
Polar Surface Area: 123 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 470.4±5.0 cm3

Click to predict properties on the Chemicalize site


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