ChemSpider 2D Image | 1-(Hexopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid | C25H28O13

1-(Hexopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

  • Molecular FormulaC25H28O13
  • Average mass536.482 Da
  • Monoisotopic mass536.153015 Da
  • ChemSpider ID57488271

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(Hexopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carbonsäure [German] [ACD/IUPAC Name]
1-(Hexopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}methyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 1-(hexopyranosyloxy)-7-hydroxy-7-({[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}méthyl)-1,4a,7,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]- [ACD/Index Name]
CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(β-D-GLUCOPYRANOSYLOXY)-1,4A,7,7A-TETRAHYDRO-7-HYDROXY-7-(((3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)METHYL)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 278.4±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -2.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 96.1±5.0 dyne/cm
Molar Volume: 327.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement