ChemSpider 2D Image | Fortunellin | C28H32O14

Fortunellin

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID16498777
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)-oxy)-5-hydroxy-2-(4-methoxyphenyl)-
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]-oxy]-5-hydroxy-2-(4-methoxyphenyl)-
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
7-{[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-on
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 888.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 293.4±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 44.78
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.66
Polar Surface Area: 214 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 365.2±5.0 cm3

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