ChemSpider 2D Image | (2E)-N-[(2S)-2-(beta-D-Glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenylacrylamide | C24H29NO8

(2E)-N-[(2S)-2-(β-D-Glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenylacrylamide

  • Molecular FormulaC24H29NO8
  • Average mass459.489 Da
  • Monoisotopic mass459.189331 Da
  • ChemSpider ID24705278

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-N-[(2S)-2-(β-D-Glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-[(2S)-2-(β-D-Glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-[(2S)-2-(β-D-Glucopyranosyloxy)-2-(4-méthoxyphényl)éthyl]-3-phénylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[(2S)-2-(β-D-glucopyranosyloxy)-2-(4-methoxyphenyl)ethyl]-3-phenyl-, (2E)- [ACD/Index Name]
AEGELINOSIDE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491204/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 757.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 42.23
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 42.23
Polar Surface Area: 138 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 335.5±5.0 cm3

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