ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (4xi)-4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-beta-D-ribo-hexopyranoside | C29H32O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (4ξ)-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-β-D-ribo-hexopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID8136768

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(4ξ)-4-O-(6-O-Acétyl-β-D-glucopyranosyl)-6-désoxy-β-D-ribo-hexopyranoside 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 (4ξ)-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-(4ξ)-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-desoxy-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[(4ξ)-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-β-D-ribo-hexopyranosyl]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: 969.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.0±3.0 kJ/mol
Flash Point: 315.6±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 40.79
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 272 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 111.0±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement