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ChemSpider 2D Image | 2-(Hydroxymethyl)phenyl 2-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranoside | C22H24O8

2-(Hydroxymethyl)phenyl 2-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC22H24O8
  • Average mass416.421 Da
  • Monoisotopic mass416.147125 Da
  • ChemSpider ID129040145

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(Hydroxymethyl)phenyl 2-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(Hydroxymethyl)phenyl-2-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-[(2E)-3-Phényl-2-propenoyl]-β-D-glucopyranoside de 2-(hydroxyméthyl)phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl 2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 230.8±25.0 °C
Index of Refraction: 1.645
Molar Refractivity: 107.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.97
ACD/KOC (pH 5.5): 125.12
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 125.12
Polar Surface Area: 126 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 295.2±5.0 cm3

Click to predict properties on the Chemicalize site


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