ChemSpider 2D Image | [(1R,3S,4S,5S,6S,7S)-6,7-Diacetoxy-4-hydroxy-1-(methoxymethyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-triyl]tris(methylene) triacetate | C21H30O14

[(1R,3S,4S,5S,6S,7S)-6,7-Diacetoxy-4-hydroxy-1-(methoxymethyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-triyl]tris(methylene) triacetate

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID9115355

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1R,3S,4S,5S,6S,7S)-6,7-Diacetoxy-4-hydroxy-1-(methoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-3,4,5-triyl]trimethylen-triacetat [German] [ACD/IUPAC Name]
[(1R,3S,4S,5S,6S,7S)-6,7-Diacetoxy-4-hydroxy-1-(methoxymethyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-triyl]tris(methylene) triacetate [ACD/IUPAC Name]
Triacétate de [(1R,3S,4S,5S,6S,7S)-6,7-diacétoxy-4-hydroxy-1-(méthoxyméthyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-triyl]triméthylène [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: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 185.6±23.6 °C
Index of Refraction: 1.514
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.74
ACD/KOC (pH 5.5): 375.49
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.74
ACD/KOC (pH 7.4): 375.41
Polar Surface Area: 179 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 369.1±5.0 cm3

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