ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside | C29H30O17

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside

  • Molecular FormulaC29H30O17
  • Average mass650.538 Da
  • Monoisotopic mass650.148315 Da
  • ChemSpider ID4869714

More details:

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

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-(carboxyacetyl)-2-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-2-O-[3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]hexopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Hexopyranoside, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1022.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.4±3.0 kJ/mol
Flash Point: 333.4±27.8 °C
Index of Refraction: 1.722
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 111.1±5.0 dyne/cm
Molar Volume: 370.4±5.0 cm3

Click to predict properties on the Chemicalize site


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