ChemSpider 2D Image | 1-O-({5-(beta-D-Allopyranosyloxy)-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl}carbonyl)-alpha-L-altropyranose | C29H34O15

1-O-({5-(β-D-Allopyranosyloxy)-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl}carbonyl)-α-L-altropyranose

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID10142766

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-O-({5-(β-D-Allopyranosyloxy)-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl}carbonyl)-α-L-altropyranose [ACD/IUPAC Name]
1-O-({5-(β-D-Allopyranosyloxy)-4-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl}carbonyl)-α-L-altropyranose [German] [ACD/IUPAC Name]
1-O-({5-(β-D-Allopyranosyloxy)-4-[2-(4-hydroxyphényl)éthyl]-1-benzofuran-2-yl}carbonyl)-α-L-altropyranose [French] [ACD/IUPAC Name]
α-L-Altropyranose, 1-O-[[5-(β-D-allopyranosyloxy)-4-[2-(4-hydroxyphenyl)ethyl]-2-benzofuranyl]carbonyl]- [ACD/Index Name]
Tyrolobibenzyl F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 892.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 493.4±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.63
ACD/LogD (pH 7.4): -0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.61
Polar Surface Area: 249 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 105.1±5.0 dyne/cm
Molar Volume: 372.8±5.0 cm3

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