ChemSpider 2D Image | (2S)-2-[(3R)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C22H28O11

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

  • Molecular FormulaC22H28O11
  • Average mass468.451 Da
  • Monoisotopic mass468.163147 Da
  • ChemSpider ID62564762

  • 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

(2S)-2-[(3R)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-2-[(3R)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-hydroxy-4-[(1S)-2-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-methylethyl]-, (4R)- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de (2S)-2-[(3R)-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: 1.5±0.1 g/cm3
Boiling Point: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 264.1±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.84
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.73
Polar Surface Area: 172 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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