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Search term: 24842724 (Found by CSID)
ChemSpider 2D Image | 6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-threo-hexopyranoside | C26H26O13

6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC26H26O13
  • Average mass546.477 Da
  • Monoisotopic mass546.137329 Da
  • ChemSpider ID24842724

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
6-Methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(carboxyacetyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-thréo-hexopyranoside de 6-méthoxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-threo-Hexopyranoside, 6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 817.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 274.7±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 364.5±3.0 cm3

Click to predict properties on the Chemicalize site


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