ChemSpider 2D Image | Asperuloside tetraacetate | C26H30O15

Asperuloside tetraacetate

  • Molecular FormulaC26H30O15
  • Average mass582.507 Da
  • Monoisotopic mass582.158447 Da
  • ChemSpider ID391572

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

{(2aS,4aS,5S,7bS)-1-Oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl}methyl acetate [ACD/IUPAC Name]
{(2aS,4aS,5S,7bS)-1-Oxo-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-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-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-, (2aS,4aS,5S,7bS)- [ACD/Index Name]
Acétate de {(2aS,4aS,5S,7bS)-1-oxo-5-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-2a,4a,5,7b-tétrahydro-1H-2,6-dioxacyclopenta[cd]indén-4-yl}méthyle [French] [ACD/IUPAC Name]
Asperuloside tetraacetate

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

C11655 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 286.0±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.28
ACD/KOC (pH 5.5): 144.10
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 144.10
Polar Surface Area: 185 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 406.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement