ChemSpider 2D Image | 3-(4-Methoxyphenyl)-4-oxo-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-5-yl acetate | C32H32O15

3-(4-Methoxyphenyl)-4-oxo-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-5-yl acetate

  • Molecular FormulaC32H32O15
  • Average mass656.588 Da
  • Monoisotopic mass656.174133 Da
  • ChemSpider ID4299860

More details:






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

3-(4-Methoxyphenyl)-4-oxo-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-5-yl acetate [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-5-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-3-(4-methoxyphenyl)-6-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]- [ACD/Index Name]
Acétate de 3-(4-méthoxyphényl)-4-oxo-6-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]-4H-chromén-5-yle [French] [ACD/IUPAC Name]
{3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2 H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate
{3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 298.4±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.49
ACD/KOC (pH 5.5): 1579.86
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.49
ACD/KOC (pH 7.4): 1579.86
Polar Surface Area: 185 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 466.1±5.0 cm3

Click to predict properties on the Chemicalize site






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