ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-threo-hexopyranoside | C28H32O15

5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID24843595

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

2-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-thréo-hexopyranoside de 5,7-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 916.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.6±3.0 kJ/mol
Flash Point: 301.8±27.8 °C
Index of Refraction: 1.710
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 46.92
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 234 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

Click to predict properties on the Chemicalize site


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