ChemSpider 2D Image | Ixoside | C16H20O11

Ixoside

  • Molecular FormulaC16H20O11
  • Average mass388.323 Da
  • Monoisotopic mass388.100555 Da
  • ChemSpider ID24708118

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aS,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarbonsäure [German] [ACD/IUPAC Name]
(1S,4aS,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4,7-dicarboxylic acid [ACD/IUPAC Name]
Acide (1S,4aS,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tétrahydrocyclopenta[c]pyrane-4,7-dicarboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-, (1S,4aS,7aS)- [ACD/Index Name]
Ixoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498244/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 729.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 267.5±26.4 °C
Index of Refraction: 1.673
Molar Refractivity: 83.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 99.8±5.0 dyne/cm
Molar Volume: 223.8±5.0 cm3

Click to predict properties on the Chemicalize site


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