ChemSpider 2D Image | (2R,3R,4R,5R,6R)-2-(Acetylperoxy)-6-{[(1S,2R,3S,4S,5R)-3,4-diacetoxy-8-oxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate | C24H32O16

(2R,3R,4R,5R,6R)-2-(Acetylperoxy)-6-{[(1S,2R,3S,4S,5R)-3,4-diacetoxy-8-oxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate

  • Molecular FormulaC24H32O16
  • Average mass576.501 Da
  • Monoisotopic mass576.169006 Da
  • ChemSpider ID2339702

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4R,5R,6R)-2-(Acetylperoxy)-6-{[(1S,2R,3S,4S,5R)-3,4-diacetoxy-8-oxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-2-(Acetylperoxy)-6-{[(1S,2R,3S,4S,5R)-3,4-diacetoxy-8-oxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl-triacetat [German] [ACD/IUPAC Name]
Triacétate de (2R,3R,4R,5R,6R)-2-(acétylperoxy)-6-{[(1S,2R,3S,4S,5R)-3,4-diacétoxy-8-oxabicyclo[3.2.1]oct-2-yl]oxy}tétrahydro-2H-pyrane-3,4,5-triyle [French] [ACD/IUPAC Name]
1,6-Alha
1,6-Anhydrolactose hexaacetate
25878-57-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 598.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 252.0±32.9 °C
Index of Refraction: 1.517
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.03
ACD/KOC (pH 5.5): 318.36
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.03
ACD/KOC (pH 7.4): 318.36
Polar Surface Area: 195 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 413.0±5.0 cm3

Click to predict properties on the Chemicalize site


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