ChemSpider 2D Image | Caudatoside F | C26H32O14

Caudatoside F

  • Molecular FormulaC26H32O14
  • Average mass568.524 Da
  • Monoisotopic mass568.179199 Da
  • ChemSpider ID9225211

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,4aS,5S,6R,7S,7aR)-6-{[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Caudatoside F
Cyclopenta[c]pyran-4-carboxylic acid, 6-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, (1S,4aS,5S,6R,7S ,7aR)- [ACD/Index Name]
Methyl (1S,4aS,5S,6R,7S,7aR)-6-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4aS,5S,6R,7S,7aR)-6-{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-1-(β-D-glucopyranosyloxy)-5-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylat [German] [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: 815.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 270.6±27.8 °C
Index of Refraction: 1.663
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.57
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.46
Polar Surface Area: 222 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 88.0±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

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