ChemSpider 2D Image | (2R)-2-[(3S)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C23H30O12

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

  • Molecular FormulaC23H30O12
  • Average mass498.477 Da
  • Monoisotopic mass498.173737 Da
  • ChemSpider ID62568560

  • 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

(2R)-2-[(3S)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl 6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
(2R)-2-[(3S)-3-Hydroxy-5-oxotetrahydro-3-furanyl]propyl-6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-hydroxy-4-[(1R)-2-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-methylethyl]-, (4S)- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside de (2R)-2-[(3S)-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: 778.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 264.9±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 117.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.11
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.03
Polar Surface Area: 181 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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