ChemSpider 2D Image | (1R)-1-{(2S,4Z)-4-[2-(beta-D-Glucopyranosyloxy)ethylidene]-5-oxotetrahydro-2-furanyl}-2-methyl-2-propen-1-yl (2E)-3-(4-hydroxyphenyl)acrylate | C25H30O11

(1R)-1-{(2S,4Z)-4-[2-(β-D-Glucopyranosyloxy)ethylidene]-5-oxotetrahydro-2-furanyl}-2-methyl-2-propen-1-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID9378007
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R)-1-{(2S,4Z)-4-[2-(β-D-Glucopyranosyloxy)ethyliden]-5-oxotetrahydro-2-furanyl}-2-methyl-2-propen-1-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
(1R)-1-{(2S,4Z)-4-[2-(β-D-Glucopyranosyloxy)ethylidene]-5-oxotetrahydro-2-furanyl}-2-methyl-2-propen-1-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(2E)-3-(4-Hydroxyphényl)acrylate de (1R)-1-{(2S,4Z)-4-[2-(β-D-glucopyranosyloxy)éthylidène]-5-oxotétrahydro-2-furanyl}-2-méthyl-2-propén-1-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (1R)-1-[(2S,4Z)-4-[2-(β-D-glucopyranosyloxy)ethylidene]tetrahydro-5-oxo-2-furanyl]-2-methyl-2-propen-1-yl ester, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 783.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 263.8±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.27
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.88
ACD/LogD (pH 7.4): 0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.71
Polar Surface Area: 172 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site






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