ChemSpider 2D Image | 4-{(1E)-5-[4-(beta-L-Glucopyranosyloxy)-3-hydroxyphenyl]-1-penten-4-yn-1-yl}-2-hydroxyphenyl beta-D-glucopyranoside | C29H34O14

4-{(1E)-5-[4-(β-L-Glucopyranosyloxy)-3-hydroxyphenyl]-1-penten-4-yn-1-yl}-2-hydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC29H34O14
  • Average mass606.572 Da
  • Monoisotopic mass606.194885 Da
  • ChemSpider ID4942924

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-{(1E)-5-[4-(β-L-Glucopyranosyloxy)-3-hydroxyphenyl]-1-penten-4-in-1-yl}-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-{(1E)-5-[4-(β-L-Glucopyranosyloxy)-3-hydroxyphenyl]-1-penten-4-yn-1-yl}-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{(1E)-5-[4-(β-L-glucopyranosyloxy)-3-hydroxyphényl]-1-pentén-4-yn-1-yl}-2-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1E)-5-[4-(β-L-glucopyranosyloxy)-3-hydroxyphenyl]-1-penten-4-yn-1-yl]-2-hydroxyphenyl [ACD/Index Name]
1,5-Bis(4'-glucopyranosyloxy-3'-hydroxyphenyl)pent-4-en-1-yne
83643-94-1 [RN]
Hypoxoside
β-D-Glucopyranoside, 1-penten-4-yne-1,5-diylbis(2-hydroxy-4,1-phenylene)bis-, (E)-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 967.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.6±3.0 kJ/mol
Flash Point: 538.7±34.3 °C
Index of Refraction: 1.729
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 239 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 366.4±5.0 cm3

Click to predict properties on the Chemicalize site


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