ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-glycero-hexopyranoside | C29H34O16

2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-glycero-hexopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID24843642

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-glycéro-hexopyranoside de 2-(3,4-diméthoxyphényl)-5,7-dihydroxy-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-glycero-hexopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dihydroxy- [ACD/Index 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: 927.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 301.7±27.8 °C
Index of Refraction: 1.697
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 36.59
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.11
Polar Surface Area: 244 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

Click to predict properties on the Chemicalize site


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