ChemSpider 2D Image | [(2aR,4aS,5S,7bS)-5-(beta-D-Mannopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate | C18H22O11

[(2aR,4aS,5S,7bS)-5-(β-D-Mannopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate

  • Molecular FormulaC18H22O11
  • Average mass414.361 Da
  • Monoisotopic mass414.116211 Da
  • ChemSpider ID110803520

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2aR,4aS,5S,7bS)-5-(β-D-Mannopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate [ACD/IUPAC Name]
[(2aR,4aS,5S,7bS)-5-(β-D-Mannopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl-acetat [German] [ACD/IUPAC Name]
1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-2a,4a,5,7b-tetrahydro-5-(β-D-mannopyranosyloxy)-, (2aR,4aS,5S,7bS)- [ACD/Index Name]
Acétate de [(2aR,4aS,5S,7bS)-5-(β-D-mannopyranosyloxy)-1-oxo-2a,4a,5,7b-tétrahydro-1H-2,6-dioxacyclopenta[cd]indén-4-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 704.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 254.1±26.4 °C
Index of Refraction: 1.635
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.28
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 161 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 255.4±5.0 cm3

Click to predict properties on the Chemicalize site


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