ChemSpider 2D Image | 3-{[6-O-(Carboxyacetyl)-beta-D-glycero-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-erythro-hexopyranoside | C30H32O19

3-{[6-O-(Carboxyacetyl)-β-D-glycero-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC30H32O19
  • Average mass696.564 Da
  • Monoisotopic mass696.153809 Da
  • ChemSpider ID24844875

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

3-{[6-O-(Carboxyacetyl)-β-D-glycero-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
3-{[6-O-(Carboxyacetyl)-β-D-glycero-hexopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-érythro-hexopyranoside de 3-{[6-O-(2-carboxyacétyl)-β-D-glycéro-hexopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
α-L-erythro-Hexopyranoside, 3-[[6-O-(2-carboxyacetyl)-β-D-glycero-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 6-deoxy- [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: 1075.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.2±3.0 kJ/mol
Flash Point: 346.0±27.8 °C
Index of Refraction: 1.741
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 122.3±5.0 dyne/cm
Molar Volume: 381.6±5.0 cm3

Click to predict properties on the Chemicalize site


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