ChemSpider 2D Image | 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside | C30H30O13

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID12944958

More details:






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

2,3,4,6-Tétra-O-acétylhexopyranoside de 3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetylhexopyranoside [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl-2,3,4,6-tetra-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(4-methoxyphenyl)-7-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]- [ACD/Index Name]
{3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-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: 687.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 287.3±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 466.29
ACD/KOC (pH 5.5): 2830.25
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 466.29
ACD/KOC (pH 7.4): 2830.25
Polar Surface Area: 159 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 431.9±5.0 cm3

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