ChemSpider 2D Image | 7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one (non-preferred n ame) | C27H30O13

7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one (non-preferred n ame)

  • Molecular FormulaC27H30O13
  • Average mass562.519 Da
  • Monoisotopic mass562.168640 Da
  • ChemSpider ID82965190

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-on (non-preferred na me) [German] [ACD/IUPAC Name]
7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}-3-(4-methoxyphenyl)-4H-chromen-4-one (non-preferred n ame) [ACD/IUPAC Name]
7-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}méthyl)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}-3-(4-méthoxyphényl)-4H-chromén-4-one (non-preferred n ame) [French] [ACD/IUPAC Name]
125310-04-5 [RN]
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,5S)-3,5-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 866.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 289.6±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.35
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.35
Polar Surface Area: 194 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 350.9±5.0 cm3

Click to predict properties on the Chemicalize site


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