ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3xi)-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-ribo-hexopyranoside | C27H30O14

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-ribo-hexopyranoside

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID4588327

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3ξ)-2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-ribo-hexopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[(3ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl (3ξ)-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-(3ξ)-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
241-335-4 [EINECS]
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-
7-((2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one

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

NSC 649413 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 916.5±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: 305.4±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.27
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 225 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 340.4±5.0 cm3

Click to predict properties on the Chemicalize site


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