ChemSpider 2D Image | 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-ch romen-4-one | C29H34O15

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-ch romen-4-one

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID9138390

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-ch romen-4-on [German] [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}-4H-ch romen-4-one [ACD/IUPAC Name]
5-Hydroxy-2-(3-hydroxy-4-méthoxyphényl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]méthoxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}-4H-ch romén-4-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 934.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 305.2±27.8 °C
Index of Refraction: 1.664
Molar Refractivity: 147.4±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 40.95
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 234 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 397.1±3.0 cm3

Click to predict properties on the Chemicalize site


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