ChemSpider 2D Image | (2S,3S,4R,4a'S,5R,6'R,7'R,8'S,8a'S)-5,6'-Bis(acetoxymethyl)hexahydro-3H,4a'H-spiro[furan-2,2'-pyrano[2,3-b][1,4]dioxine]-3,4,7',8'-tetrayl tetraacetate | C24H32O16

(2S,3S,4R,4a'S,5R,6'R,7'R,8'S,8a'S)-5,6'-Bis(acetoxymethyl)hexahydro-3H,4a'H-spiro[furan-2,2'-pyrano[2,3-b][1,4]dioxine]-3,4,7',8'-tetrayl tetraacetate

  • Molecular FormulaC24H32O16
  • Average mass576.501 Da
  • Monoisotopic mass576.169006 Da
  • ChemSpider ID8826184

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3S,4R,4a'S,5R,6'R,7'R,8'S,8a'S)-5,6'-Bis(acetoxymethyl)hexahydro-3H,4a'H-spiro[furan-2,2'-pyrano[2,3-b][1,4]dioxine]-3,4,7',8'-tetrayl tetraacetate [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: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 260.6±31.5 °C
Index of Refraction: 1.518
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.26
ACD/KOC (pH 5.5): 1197.80
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.26
ACD/KOC (pH 7.4): 1197.80
Polar Surface Area: 195 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 412.2±5.0 cm3

Click to predict properties on the Chemicalize site


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