ChemSpider 2D Image | 4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-3-yl}-1,2-phenylene diacetate | C35H34O18

4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-3-yl}-1,2-phenylene diacetate

  • Molecular FormulaC35H34O18
  • Average mass742.634 Da
  • Monoisotopic mass742.174500 Da
  • ChemSpider ID2596219

More details:






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

4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-3-yl}-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-4H-chromen-3-yl}-1,2-phenylene diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-3-[3,4-bis(acetyloxy)phenyl]-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]- [ACD/Index Name]
Diacétate de 4-{5-acétoxy-4-oxo-7-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]-4H-chromén-3-yl}-1,2-phénylène [French] [ACD/IUPAC Name]
2-acetyloxy-4-{5-acetyloxy-4-oxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]chromen-3-yl}phenyl acetate
Orobole 7-O-Glucoside, Acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 808.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 327.8±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 171.8±0.4 cm3
#H bond acceptors: 18
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.45
ACD/KOC (pH 5.5): 775.74
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.45
ACD/KOC (pH 7.4): 775.74
Polar Surface Area: 229 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 512.9±5.0 cm3

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