ChemSpider 2D Image | (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{[(2R,3S,4R,5R)-3,4-diacetoxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate (non-preferred name) | C24H32O16

(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{[(2R,3S,4R,5R)-3,4-diacetoxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate (non-preferred name)

  • Molecular FormulaC24H32O16
  • Average mass576.501 Da
  • Monoisotopic mass576.169006 Da
  • ChemSpider ID68894450

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{[(2R,3S,4R,5R)-3,4-diacetoxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl triacetate (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-{[(2R,3S,4R,5R)-3,4-diacetoxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tetrahydro-2H-pyran-3,4,5-triyl-triacetat (non-preferred name) [German] [ACD/IUPAC Name]
Triacétate de (2R,3R,4S,5R,6R)-2-(acétoxyméthyl)-6-{[(2R,3S,4R,5R)-3,4-diacétoxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}tétrahydro-2H-pyrane-3,4,5-triyle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 254.3±31.5 °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: 2.21
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.43
ACD/KOC (pH 5.5): 131.89
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 131.89
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

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