ChemSpider 2D Image | 5-Hydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranoside | C29H34O16

5-Hydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID8408558

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]- [ACD/Index Name]
5-Hydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-β-D-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-4-oxo-4H-chromen-3-yl-6-O-(6-desoxy-β-D-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-β-D-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-[3-hydroxy-4-(2-hydroxyéthoxy)phényl]-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC 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: 957.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 311.9±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.17
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.81
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 255 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 105.5±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


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