ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (3xi)-2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-alpha-L-erythro-pentofuranoside | C26H28O15

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (3ξ)-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-pentofuranoside

  • Molecular FormulaC26H28O15
  • Average mass580.492 Da
  • Monoisotopic mass580.142822 Da
  • ChemSpider ID24844950

  • defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(3ξ)-2-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-α-L-érythro-pentofuranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (3ξ)-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-pentofuranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-(3ξ)-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-pentofuranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[(3ξ)-2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-α-L-erythro-pentofuranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [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: 963.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 322.5±27.8 °C
Index of Refraction: 1.762
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 35.12
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 245 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 121.2±5.0 dyne/cm
Molar Volume: 320.3±5.0 cm3

Click to predict properties on the Chemicalize site


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