ChemSpider 2D Image | 2-(3-Hydroxy-5-oxotetrahydro-3-furanyl)propyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C22H28O12

2-(3-Hydroxy-5-oxotetrahydro-3-furanyl)propyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC22H28O12
  • Average mass484.451 Da
  • Monoisotopic mass484.158081 Da
  • ChemSpider ID22913948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

2(3H)-Furanone, 4-[2-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-methylethyl]dihydro-4-hydroxy- [ACD/Index Name]
2-(3-Hydroxy-5-oxotetrahydro-3-furanyl)propyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-5-oxotetrahydro-3-furanyl)propyl-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3-hydroxy-5-oxotétrahydro-3-furanyl)propyle [French] [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: 809.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 278.4±27.8 °C
Index of Refraction: 1.643
Molar Refractivity: 112.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.99
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.64
Polar Surface Area: 192 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 312.4±5.0 cm3

Click to predict properties on the Chemicalize site


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