ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-7-hydroxy-5-methoxy-4-oxo-4H-chromen-3-yl (5xi)-2-O-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-6-O-L-lyxopyranosyl-D-xylo-hexopyranoside | C34H42O20

2-(3,4-Dimethoxyphenyl)-7-hydroxy-5-methoxy-4-oxo-4H-chromen-3-yl (5ξ)-2-O-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-6-O-L-lyxopyranosyl-D-xylo-hexopyranoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID8481441

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(5ξ)-2-O-[(3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-6-O-L-lyxopyranosyl-D-xylo-hexopyranoside de 2-(3,4-diméthoxyphényl)-7-hydroxy-5-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5-methoxy-4-oxo-4H-chromen-3-yl (5ξ)-2-O-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-6-O-L-lyxopyranosyl-D-xylo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-7-hydroxy-5-methoxy-4-oxo-4H-chromen-3-yl-(5ξ)-2-O-[(3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-6-O-L-lyxopyranosyl-D-xylo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-hydroxy-3-[[(5ξ)-6-O-L-lyxopyranosyl-2-O-[(3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-D-xylo-hexopyranosyl]oxy]-5-methoxy- [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: 1075.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.2±3.0 kJ/mol
Flash Point: 335.9±27.8 °C
Index of Refraction: 1.688
Molar Refractivity: 175.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.81
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 460.7±5.0 cm3

Click to predict properties on the Chemicalize site


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