ChemSpider 2D Image | 2-Hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl 2-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-threo-hexopyranoside | C29H34O16

2-Hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID24845340

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

2-Hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl 2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2-Hydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxo-4H-chromen-2-yl)phenyl-2-O-(6-desoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-thréo-hexopyranoside de 2-hydroxy-5-(5-hydroxy-3,7-diméthoxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[[2-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-4-hydroxyphenyl]-5-hydroxy-3,7-dimethoxy- [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: 949.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 309.2±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: 1.92
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.53
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
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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