ChemSpider 2D Image | 4-(5-Acetoxy-4-oxo-7-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-4H-chromen-3-yl)phenyl acetate | C42H44O22

4-(5-Acetoxy-4-oxo-7-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-4H-chromen-3-yl)phenyl acetate

  • Molecular FormulaC42H44O22
  • Average mass900.786 Da
  • Monoisotopic mass900.232422 Da
  • ChemSpider ID12944953

More details:






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

4-(5-Acetoxy-4-oxo-7-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-4H-chromen-3-yl)phenyl acetate [ACD/IUPAC Name]
4-(5-Acetoxy-4-oxo-7-{[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy}-4H-chromen-3-yl)phenyl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-3-[4-(acetyloxy)phenyl]-7-[[2,3,4-tri-O-acetyl-6-O-(2,3,4-tri-O-acetylpentopyranosyl)hexopyranosyl]oxy]- [ACD/Index Name]
Acétate de 4-(5-acétoxy-4-oxo-7-{[2,3,4-tri-O-acétyl-6-O-(2,3,4-tri-O-acétylpentopyranosyl)hexopyranosyl]oxy}-4H-chromén-3-yl)phényle [French] [ACD/IUPAC Name]
4-(5-acetyloxy-4-oxo-7-{3,4,5-triacetyloxy-6-[(3,4,5-triacetyloxy(2H-3,4,5,6-tetrahydropyran-2-yloxy))methyl](2H-3,4,5,6-tetrahydropyran-2-yloxy)}chromen-3-yl)phenyl acetate
Genistein -7-O-Glc-Xyl, Acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 884.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 207.4±0.4 cm3
#H bond acceptors: 22
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.55
ACD/KOC (pH 5.5): 1502.73
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.55
ACD/KOC (pH 7.4): 1502.73
Polar Surface Area: 274 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 623.0±5.0 cm3

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